4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminium Chloride

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4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminium Chloride

UUID 4db98764-ae2b-4259-bb27-449155975341

Flow Object ID fo-947c2b666dae368e

Source EF 3.1

Context Environmental → Air → Ground level → Urban (>1000 people/square mile)

CAS Numbers 5261-99-4

EC Numbers 226-073-0

prefLabel

Language	Value	Provenance
`en`	`4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminium Chloride`

altLabel ⓘ

Language	Value	Provenance
`en`	`(3-Carbamoyl-2-hydroxypropyl)trimethylammonium chloride`
`en`	`1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride`
`en`	`1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride (1:1)`
`en`	`1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride, (±)-`
`en`	`<span class="text-smallcaps">DL</span>-Carnitine amide chloride`
`en`	`Ammonium, (3-carbamoyl-2-hydroxypropyl)trimethyl-, chloride, <span class="text-smallcaps">DL</span>-`

References

Shared Properties

Predicate	Value
InChIKey	`KCXYVQFCFVPPFS-UHFFFAOYSA-N, LTELZMDSXFWIGP-UHFFFAOYSA-N, MVOVUKIZAZCBRK-UHFFFAOYSA-N, QEVUYJPXUAFEFQ-UHFFFAOYSA-N`
InChI	`InChI=1S/C7H14N2O2.ClH/c1-9(2)4-3-6(10)5-7(8)11;/h4,6,10H,3,5H2,1-2H3,(H-,8,11);1H, InChI=1S/C7H16N2O2.2ClH/c1-9(2,3)5-6(10)4-7(8)11;;/h6,10H,4-5H2,1-3H3,(H-,8,11);2*1H, InChI=1S/C7H16N2O2.ClH/c1-9(2,3)5-6(10)4-7(8)11;/h6,10H,4-5H2,1-3H3,(H-,8,11);1H, InChI=1S/C7H8N2OS/c1-4-6(5(2)10)3-8-7(11)9-4/h3H,1-2H3,(H,8,9,11)`
IUPAC name	(4-amino-2-hydroxy-4-keto-butyl)-trimethyl-ammonium chloride, (4-amino-2-hydroxy-4-keto-butyl)-trimethyl-ammonium;chloride;hydrochloride, (4-amino-2-hydroxy-4-oxo-butyl)-trimethyl-ammonium chloride, (4-amino-2-hydroxy-4-oxo-butyl)-trimethyl-ammonium;chloride;hydrochloride, (4-amino-2-hydroxy-4-oxobutyl)-trimethylammonium chloride, (4-amino-2-hydroxy-4-oxobutyl)-trimethylammonium;chloride;hydrochloride, (4-amino-2-hydroxy-4-oxobutyl)-trimethylazanium chloride, (4-amino-2-hydroxy-4-oxobutyl)-trimethylazanium;chloride;hydrochloride, (4-azanyl-2-oxidanyl-4-oxidanylidene-butyl)-trimethyl-azanium chloride, (4-azanyl-2-oxidanyl-4-oxidanylidene-butyl)-trimethyl-azanium;chloride;hydrochloride, (5-amino-3-hydroxy-5-keto-pentylidene)-dimethyl-ammonium chloride, (5-amino-3-hydroxy-5-oxo-pentylidene)-dimethyl-ammonium chloride, (5-amino-3-hydroxy-5-oxopentylidene)-dimethylammonium chloride, (5-amino-3-hydroxy-5-oxopentylidene)-dimethylazanium chloride, (5-azanyl-3-oxidanyl-5-oxidanylidene-pentylidene)-dimethyl-azanium chloride, 1-(6-methyl-2-sulfanylidene-1H-pyrimidin-5-yl)ethanone, 1-(6-methyl-2-thioxo-1H-pyrimidin-5-yl)ethanone, 5-dimethylazaniumylidene-3-hydroxypentanimidate;hydrochloride, 5-dimethylazaniumylidene-3-oxidanyl-pentanimidate;hydrochloride, 5-dimethyliminio-3-hydroxy-pentanimidate;hydrochloride, 5-dimethyliminio-3-hydroxy-valerimidate;hydrochloride, 5-dimethyliminio-3-hydroxypentanimidate;hydrochloride
Molecular formula	`C7H15ClN2O2, C7H17ClN2O2, C7H18Cl2N2O2, C7H8N2OS`
SMILES	`CC1=C(C=NC(=S)N1)C(=O)C, C[N+](=CCC(CC(=N)[O-])O)C.Cl, C[N+](=CCC(CC(=O)N)O)C.[Cl-], C[N+](C)(C)CC(CC(=O)N)O.Cl.[Cl-], C[N+](C)(C)CC(CC(=O)N)O.[Cl-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`4db98764-ae2b-4259-bb27-449155975341`	4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminium chloride

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminium chloride	Emissions/Emissions to air/Emissions to urban air close to ground	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=4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminiumchloride\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=5261-99-4; added Common Chemistry CAS names as altLabel: (3-Carbamoyl-2-hydroxypropyl)trimethylammonium chloride, 1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride, 1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride (1:1), 1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride, (±)-, <span class="text-smallcaps">DL</span>-Carnitine amide chloride, Ammonium, (3-carbamoyl-2-hydroxypropyl)trimethyl-, chloride, <span class="text-smallcaps">DL</span>-; object_uuid=fo-947c2b666dae368e
`cas_match_labels`	1	`—`	consensus_match	group_key=4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminiumchloride\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5261-99-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-947c2b666dae368e: {'5261-99-4': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Urban (>1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(3-Carbamoyl-2-hydroxypropyl)trimethylammonium chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5261-99-4', 'https://commonchemistry.cas.org/detail?cas_rn=5261-99-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5261-99-4', 'https://commonchemistry.cas.org/detail?cas_rn=5261-99-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5261-99-4', 'https://commonchemistry.cas.org/detail?cas_rn=5261-99-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride, (±)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5261-99-4', 'https://commonchemistry.cas.org/detail?cas_rn=5261-99-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<span class="text-smallcaps">DL</span>-Carnitine amide chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5261-99-4', 'https://commonchemistry.cas.org/detail?cas_rn=5261-99-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ammonium, (3-carbamoyl-2-hydroxypropyl)trimethyl-, chloride, <span class="text-smallcaps">DL</span>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5261-99-4', 'https://commonchemistry.cas.org/detail?cas_rn=5261-99-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminiumchloride\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=5261-99-4; added Common Chemistry CAS names as altLabel: (3-Carbamoyl-2-hydroxypropyl)trimethylammonium chloride, 1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride, 1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride (1:1), 1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride, (±)-, <span class="text-smallcaps">DL</span>-Carnitine amide chloride, Ammonium, (3-carbamoyl-2-hydroxypropyl)trimethyl-, chloride, <span class="text-smallcaps">DL</span>-; object_uuid=fo-947c2b666dae368e
`cas_match_labels`	`None`	`{'5261-99-4': 'exactMatch'}`	group_key=4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminiumchloride\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5261-99-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-947c2b666dae368e: {'5261-99-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "(4-amino-2-hydroxy-4-keto-butyl)-trimethyl-ammonium;chloride;hydrochloride",
        "(4-amino-2-hydroxy-4-oxo-butyl)-trimethyl-ammonium chloride",
        "(4-amino-2-hydroxy-4-oxo-butyl)-trimethyl-ammonium;chloride;hydrochloride",
        "(4-amino-2-hydroxy-4-oxobutyl)-trimethylammonium chloride",
        "(4-amino-2-hydroxy-4-oxobutyl)-trimethylammonium;chloride;hydrochloride",
        "(4-amino-2-hydroxy-4-oxobutyl)-trimethylazanium chloride",
        "(4-amino-2-hydroxy-4-oxobutyl)-trimethylazanium;chloride;hydrochloride",
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        "(4-azanyl-2-oxidanyl-4-oxidanylidene-butyl)-trimethyl-azanium;chloride;hydrochloride",
        "(5-amino-3-hydroxy-5-keto-pentylidene)-dimethyl-ammonium chloride",
        "(5-amino-3-hydroxy-5-oxo-pentylidene)-dimethyl-ammonium chloride",
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        "5-dimethylazaniumylidene-3-hydroxypentanimidate;hydrochloride",
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