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(3s,4as,8as)-ntertbutyldecahydroisoquinoline-3-carboxamide

UUID 4b3dcbb9-fadd-436b-a4df-0e467f052521
Flow Object IDfo-9d015a6657a8bae7
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 136465-81-1
EC Numbers 420-380-5
prefLabel
Language Value Provenance
en (3s,4as,8as)-ntertbutyldecahydroisoquinoline-3-carboxamide
altLabel
Language Value Provenance
en (3<em>S</em>,4a<em>S</em>,8a<em>S</em>)-<em>N</em>-(1,1-Dimethylethyl)decahydro-3-isoquinolinecarboxamide
en (3<em>S</em>,4a<em>S</em>,8a<em>S</em>)-Decahydroisoquinoline-3-carboxylic acid <em>tert</em>-butylamide
en (<em>S</em>,<em>S</em>,<em>S</em>)-<em>N</em>-<em>tert</em>-Butyldecahydroisoquinoline-3-carboxamide
en 3-Isoquinolinecarboxamide, <em>N</em>-(1,1-dimethylethyl)decahydro-, (3<em>S</em>,4a<em>S</em>,8a<em>S</em>)-
en 3-Isoquinolinecarboxamide, <em>N</em>-(1,1-dimethylethyl)decahydro-, [3<em>S</em>-(3α,4aβ,8aβ)]-
en [(3<em>S</em>)-(3α,4aβ,8aβ)]-<em>N</em>-(<em>tert</em>-Butyl)decahydro-3-isoquinolinecarboxamide
References
Shared Properties
Predicate Value
InChIKey DMJXRYSGXCLCFP-LBPRGKRZSA-N, QEVWIWYBRGIBPE-ROAFRPBMSA-N, UHZZQGOTVIVMIM-UHFFFAOYSA-N, UPZBXVBPICTBDP-MCIGGMRASA-N, UPZBXVBPICTBDP-SRVKXCTJSA-N, UPZBXVBPICTBDP-SRVKXCTJSA-O, UPZBXVBPICTBDP-TUAOUCFPSA-N, UPZBXVBPICTBDP-UBNQGINQSA-N, UPZBXVBPICTBDP-UHFFFAOYSA-N, UPZBXVBPICTBDP-UTUOFQBUSA-N
InChI InChI=1S/C14H20N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)/t12-/m0/s1, InChI=1S/C14H26N2O/c1-14(2,3)12-10-7-5-4-6-9(10)8-11(16-12)13(15)17/h9-12,16H,4-8H2,1-3H3,(H2,15,17)/t9?,10?,11?,12-/m0/s1, InChI=1S/C14H26N2O/c1-14(2,3)13(17)16-12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17), InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17), InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/p+1/t10-,11-,12-/m0/s1, InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12-/m0/s1, InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12?/m1/s1, InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11-,12+/m1/s1, InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11-,12-/m0/s1, InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10?,11?,12-/m0/s1
IUPAC name (1S)-1-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide, (3S)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide, (3S)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, (3S,4aR,8aS)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide, (3S,4aS,8aR)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-3-carboxamide, (3S,4aS,8aR)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide, (3S,4aS,8aS)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide, (4aR,8aR)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide, N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-2,2-dimethyl-propanamide, N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-2,2-dimethyl-propionamide, N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-2,2-dimethylpropanamide, N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide
Molecular formula C14H20N2O, C14H26N2O, C14H27N2O+
SMILES CC(C)(C)C(=O)NC1CC2CCCCC2CN1, CC(C)(C)C1C2CCCCC2CC(N1)C(=O)N, CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1, CC(C)(C)NC(=O)C1CC2CCCCC2CN1, CC(C)(C)NC(=O)C1CC2CCCCC2C[NH2+]1, CC(C)(C)NC(=O)C1C[C@H]2CCCC[C@H]2CN1, CC(C)(C)NC(=O)[C@@H]1CC2=CC=CC=C2CN1, CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1, CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1, CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2CN1, CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[NH2+]1, CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1, CC(C)(C)[C@@H]1C2CCCCC2CC(N1)C(=O)N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4b3dcbb9-fadd-436b-a4df-0e467f052521 (3s,4as,8as)-ntertbutyldecahydroisoquinoline-3-carboxamide

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 (3s,4as,8as)-ntertbutyldecahydroisoquinoline-3-carboxamide Emissions/Emissions to air/Emissions to non-urban air or from high stacks kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=(3s,4as,8as)-ntertbutyldecahydroisoquinoline-3-carboxamide||dimension=Environmental > media=Air > indoor=Unknown; cas=136465-81-1; added Common Chemistry CAS names as altLabel: (3<em>S</em>,4a<em>S</em>,8a<em>S</em>)-<em>N</em>-(1,1-Dimethylethyl)decahydro-3-isoquinolinecarboxamide, (3<em>S</em>,4a<em>S</em>,8a<em>S</em>)-Decahydroisoquinoline-3-carboxylic acid <em>tert</em>-butylamide, (<em>S</em>,<em>S</em>,<em>S</em>)-<em>N</em>-<em>tert</em>-Butyldecahydroisoquinoline-3-carboxamide, 3-Isoquinolinecarboxamide, <em>N</em>-(1,1-dimethylethyl)decahydro-, (3<em>S</em>,4a<em>S</em>,8a<em>S</em>)-, 3-Isoquinolinecarboxamide, <em>N</em>-(1,1-dimethylethyl)decahydro-, [3<em>S</em>-(3α,4aβ,8aβ)]-, [(3<em>S</em>)-(3α,4aβ,8aβ)]-<em>N</em>-(<em>tert</em>-Butyl)decahydro-3-isoquinolinecarboxamide; object_uuid=fo-9d015a6657a8bae7
cas_match_labels 1 consensus_match group_key=(3s,4as,8as)-ntertbutyldecahydroisoquinoline-3-carboxamide||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'136465-81-1': []}; assigned CAS labels from group consensus; object_uuid=fo-9d015a6657a8bae7: {'136465-81-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(3<em>S</em>,4a<em>S</em>,8a<em>S</em>)-<em>N</em>-(1,1-Dimethylethyl)decahydro-3-isoquinolinecarboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136465-81-1', 'https://commonchemistry.cas.org/detail?cas_rn=136465-81-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(3<em>S</em>,4a<em>S</em>,8a<em>S</em>)-Decahydroisoquinoline-3-carboxylic acid <em>tert</em>-butylamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136465-81-1', 'https://commonchemistry.cas.org/detail?cas_rn=136465-81-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>S</em>,<em>S</em>,<em>S</em>)-<em>N</em>-<em>tert</em>-Butyldecahydroisoquinoline-3-carboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136465-81-1', 'https://commonchemistry.cas.org/detail?cas_rn=136465-81-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Isoquinolinecarboxamide, <em>N</em>-(1,1-dimethylethyl)decahydro-, (3<em>S</em>,4a<em>S</em>,8a<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136465-81-1', 'https://commonchemistry.cas.org/detail?cas_rn=136465-81-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Isoquinolinecarboxamide, <em>N</em>-(1,1-dimethylethyl)decahydro-, [3<em>S</em>-(3α,4aβ,8aβ)]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136465-81-1', 'https://commonchemistry.cas.org/detail?cas_rn=136465-81-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '[(3<em>S</em>)-(3α,4aβ,8aβ)]-<em>N</em>-(<em>tert</em>-Butyl)decahydro-3-isoquinolinecarboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136465-81-1', 'https://commonchemistry.cas.org/detail?cas_rn=136465-81-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=(3s,4as,8as)-ntertbutyldecahydroisoquinoline-3-carboxamide||dimension=Environmental > media=Air > indoor=Unknown; cas=136465-81-1; added Common Chemistry CAS names as altLabel: (3<em>S</em>,4a<em>S</em>,8a<em>S</em>)-<em>N</em>-(1,1-Dimethylethyl)decahydro-3-isoquinolinecarboxamide, (3<em>S</em>,4a<em>S</em>,8a<em>S</em>)-Decahydroisoquinoline-3-carboxylic acid <em>tert</em>-butylamide, (<em>S</em>,<em>S</em>,<em>S</em>)-<em>N</em>-<em>tert</em>-Butyldecahydroisoquinoline-3-carboxamide, 3-Isoquinolinecarboxamide, <em>N</em>-(1,1-dimethylethyl)decahydro-, (3<em>S</em>,4a<em>S</em>,8a<em>S</em>)-, 3-Isoquinolinecarboxamide, <em>N</em>-(1,1-dimethylethyl)decahydro-, [3<em>S</em>-(3α,4aβ,8aβ)]-, [(3<em>S</em>)-(3α,4aβ,8aβ)]-<em>N</em>-(<em>tert</em>-Butyl)decahydro-3-isoquinolinecarboxamide; object_uuid=fo-9d015a6657a8bae7
cas_match_labels None {'136465-81-1': 'exactMatch'} group_key=(3s,4as,8as)-ntertbutyldecahydroisoquinoline-3-carboxamide||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'136465-81-1': []}; assigned CAS labels from group consensus; object_uuid=fo-9d015a6657a8bae7: {'136465-81-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 9.2118e-8
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    {
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