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[(Anilinocarbonyl)amino]acetic acid

HCID 230718
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
3016-39-5
Standard SMILES
O=C(O)CNC(=O)Nc1ccccc1
InChIKey
FLQZMUXFJLKXGY-UHFFFAOYSA-N
Molecular formula
C9H10N2O3
Average molar mass
194.19 g/mol
Monoisotopic mass
194.06914219

Names & identifiers

Preferred name
[(Anilinocarbonyl)amino]acetic acid
IUPAC
2-(phenylcarbamoylamino)acetic acid
English name
(ANILINOCARBONYL)AMINO]ACETIC ACID
Molecular formula
C9H10N2O3
Molecular weight
194.19

Names & synonyms

3016-39-5[(anilinocarbonyl)amino]acetic acidn-(phenylcarbamoyl)glycine2-[(phenylcarbamoyl)amino]acetic acid2-(phenylcarbamoylamino)acetic acid2-(3-phenylureido)acetic acid(ANILINOCARBONYL)AMINO]ACETIC ACIDNSC25862Phenylhydantoic acidphenylcarbamoylglycineMFCD000993435-phenylhydantoic acid
Show more names
Glycine, N-[(phenylamino)carbonyl]-2-(phenylcarbamoylamino)ethanoic acid
N-(Anilinocarbonyl)glycineOprea1_4686882-(3-phenylureido)aceticacidSCHEMBL333005CHEMBL456604SCHEMBL14855370DTXSID60282446FLQZMUXFJLKXGY-UHFFFAOYSA-N

Database identifiers

CAS
3016-39-5
PubChem CID
230718
DTXSID
DTXSID60282446
ChEMBL
CHEMBL456604
EC Number
154-159-7
Nikkaji
J80.617J

Properties

Computed structural propertiesFilling in

XLogP
0
Topological polar surface area
78.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
212

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Benzoic acidGlycine hydrochlorideGlycine ethyl ester hydrochloride

Related reactions

1 records
New reaction record
HRID 703930 reaction equation
HRID 703930As productuspto-grants-1991_01

Compound notes

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