AG002NPC

23574-01-8 | β-Alanine, N-(phenylmethyl)-, methyl ester

AG002NPC

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CAS Number	23574-01-8
Catalog Number	AG002NPC(AGN-PC-0JR28Q)
Chemical Name	β-Alanine, N-(phenylmethyl)-, methyl ester
IUPAC Name	methyl 3-(benzylamino)propanoate
InChI	InChI=1S/C11H15NO2/c1-14-11(13)7-8-12-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChI Key	MVZIUHUSHIYYGP-UHFFFAOYSA-N
MDL Number	MFCD01475856
Molecular Formula	C11H15NO2
Molecular Weight	193.2423
SMILES	O=C(OC)CCNCC1=CC=CC=C1
Synonyms	methyl 3-(benzylamino)propanoate, 23574-01-8, METHYL 3-(N-BENZYLAMINO)PROPIONATE, beta-Alanine, N-(phenylmethyl)-, methyl ester, methyl N-benzyl-beta-alaninate hydrochloride, AC1L9O0X, SCHEMBL537549, methyl N-benzyl-beta-alaninate, AC1Q444H, N-Benzyl-b-alanine methyl ester, CTK6J2506, KS-00000ZTX, methyl-3-(benzylamino)propanoate, DTXSID30329791, Methyl-beta-benzylamino propionate, MVZIUHUSHIYYGP-UHFFFAOYSA-N, ALBB-015904, Methyl N-[benzyl]3-aminopropionate, ZINC1605967, MFCD01475856, STK996148, AKOS003603852, MCULE-3104170816, NCGC00338896-01, AK327085, CS-10021, SC-71276, TS-00279, 3-(Benzylamino)propionic acid methyl ester, AB0086248, TR-050087, BB 0256925, CS-0049144, FT-0671539, R2621, EN300-49375, AB01331441-02, I01-9240, I01-9242, J-015150, beta-alanine, N-(phenylmethyl)-, methyl ester, hydrochloride, METHYL3- PROPIONATE, N-Benzyl-beta-alanine methyl ester, CID423871, NSC158380, ACN-052155,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.11g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.246g/mol
Monoisotopic Mass	193.11g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

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