Lactonitrile

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UUID 7a7986d5-215e-45ed-aa18-bb2610042913

Flow Object ID fo-b7764783a0ac4030

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 78-97-7

EC Numbers 201-163-2

prefLabel

Language	Value	Provenance
`en`	`Lactonitrile`

altLabel ⓘ

Language	Value	Provenance
`en`	`(±)-2-Hydroxypropanenitrile`
`en`	`(±)-2-Hydroxypropionitrile`
`en`	`2-Hydroxypropanenitrile`
`en`	`2-Hydroxypropionitrile`
`en`	`Acetaldehyde, cyanohydrin`
`en`	`Acetocyanohydrin`
`en`	`NSC 7764`
`en`	`Propanenitrile, 2-hydroxy-`
`en`	`α-Hydroxypropionitrile`

References

Shared Properties

Predicate	Value
InChIKey	`PDZWMZKEQIIYKL-HQVZTVAUSA-N, WOFDVDFSGLBFAC-UHFFFAOYSA-N`
InChI	`InChI=1S/C21H24N8O5/c1-10(14-9-24-18-16(25-14)17(22)27-21(23)28-18)29(2)12-5-3-11(4-6-12)19(32)26-13(20(33)34)7-8-15(30)31/h3-6,9-10,13H,7-8H2,1-2H3,(H,26,32)(H,30,31)(H,33,34)(H4,22,23,24,27,28)/t10?,13-/m0/s1, InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3`
IUPAC name	(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)ethyl-methyl-amino]benzoyl]amino]glutaric acid, (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)ethyl-methyl-amino]benzoyl]amino]pentanedioic acid, (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)ethyl-methylamino]benzoyl]amino]pentanedioic acid, (2S)-2-[[4-[1-[2,4-bis(azanyl)pteridin-6-yl]ethyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid, (2S)-2-[[[4-[1-(2,4-diamino-6-pteridinyl)ethyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid, 2-hydroxypropanenitrile, 2-oxidanylpropanenitrile, lactonitrile
Molecular formula	`C21H24N8O5, C3H5NO`
SMILES	`CC(C#N)O, CC(C1=CN=C2C(=N1)C(=NC(=N2)N)N)N(C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O, CC(C1=CN=C2C(=N1)C(=NC(=N2)N)N)N(C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`7a7986d5-215e-45ed-aa18-bb2610042913`	lactonitrile

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	lactonitrile	Emissions/Emissions to air/Emissions to air, unspecified	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=lactonitrile\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=78-97-7; added Common Chemistry CAS names as altLabel: (±)-2-Hydroxypropanenitrile, (±)-2-Hydroxypropionitrile, 2-Hydroxypropanenitrile, 2-Hydroxypropionitrile, Acetaldehyde, cyanohydrin, Acetocyanohydrin, NSC 7764, Propanenitrile, 2-hydroxy-, α-Hydroxypropionitrile; object_uuid=fo-b7764783a0ac4030
`cas_match_labels`	1	`—`	consensus_match	group_key=lactonitrile\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'78-97-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b7764783a0ac4030: {'78-97-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(±)-2-Hydroxypropanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-97-7', 'https://commonchemistry.cas.org/detail?cas_rn=78-97-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(±)-2-Hydroxypropionitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-97-7', 'https://commonchemistry.cas.org/detail?cas_rn=78-97-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Hydroxypropanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-97-7', 'https://commonchemistry.cas.org/detail?cas_rn=78-97-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Hydroxypropionitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-97-7', 'https://commonchemistry.cas.org/detail?cas_rn=78-97-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetaldehyde, cyanohydrin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-97-7', 'https://commonchemistry.cas.org/detail?cas_rn=78-97-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetocyanohydrin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-97-7', 'https://commonchemistry.cas.org/detail?cas_rn=78-97-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 7764', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-97-7', 'https://commonchemistry.cas.org/detail?cas_rn=78-97-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanenitrile, 2-hydroxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-97-7', 'https://commonchemistry.cas.org/detail?cas_rn=78-97-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Hydroxypropionitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-97-7', 'https://commonchemistry.cas.org/detail?cas_rn=78-97-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=lactonitrile\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=78-97-7; added Common Chemistry CAS names as altLabel: (±)-2-Hydroxypropanenitrile, (±)-2-Hydroxypropionitrile, 2-Hydroxypropanenitrile, 2-Hydroxypropionitrile, Acetaldehyde, cyanohydrin, Acetocyanohydrin, NSC 7764, Propanenitrile, 2-hydroxy-, α-Hydroxypropionitrile; object_uuid=fo-b7764783a0ac4030
`cas_match_labels`	`None`	`{'78-97-7': 'exactMatch'}`	group_key=lactonitrile\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'78-97-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b7764783a0ac4030: {'78-97-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "strata": "Unknown"
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  "unit": "kg",
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      "characterization_factor": 28728.0
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