AG002YZ6

29644-97-1 | Benzeneacetic acid, 4-amino-α-ethyl-

AG002YZ6

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CAS Number	29644-97-1
Catalog Number	AG002YZ6(AGN-PC-0R56LC)
Chemical Name	Benzeneacetic acid, 4-amino-α-ethyl-
EC Number	608-388-9
IUPAC Name	2-(4-aminophenyl)butanoic acid
InChI	InChI=1S/C10H13NO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2,11H2,1H3,(H,12,13)
InChI Key	WAPLXGPARWRGJO-UHFFFAOYSA-N
MDL Number	MFCD00598059
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
NSC Number	27530
SMILES	CCC(C1=CC=C(N)C=C1)C(O)=O
Synonyms	2-(4-aminophenyl)butanoic acid, 29644-97-1, 2-(p-Aminophenyl)butyric acid, BUTYRIC ACID, 2-(p-AMINOPHENYL)-, NSC 27530, Benzeneacetic acid,4-amino-a-ethyl-, NSC27530, p-aminophenylbutyric acid, AC1L1S0R, a-(p-Aminophenyl)butyric acid, SCHEMBL261617, 2-(4-Aminophenyl)butyric acid, 2-(4'-Aminophenyl)butyric acid, CTK4G3609, KS-00000FKI, WAPLXGPARWRGJO-UHFFFAOYSA-N, 1-alpha-(p-Aminophenyl)butyric acid, ANW-60585, dl-alpha-(p-Aminophenyl)butyric acid, MFCD00598059, NSC-27530, AKOS004117910, AKOS016843100, AK-89638, AN-16774, Benzeneacetic acid, 4-amino-alpha-ethyl-, DS-16584, LS-47833, AB1008626, TC-149330, FT-0082986, FT-0651263, K-7180, I01-8906, null, ?-(p-Aminophenyl)butyric acid, CID34655, C10-H13-N-O2, ACN-053004,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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