AG002NRT

23583-21-3 | β-Alanine, N-(phenylmethyl)-, ethyl ester

AG002NRT

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CAS Number	23583-21-3
Catalog Number	AG002NRT(AGN-PC-0JLYHY)
Chemical Name	β-Alanine, N-(phenylmethyl)-, ethyl ester
EC Number	245-759-0
IUPAC Name	ethyl 3-(benzylamino)propanoate
InChI	InChI=1S/C12H17NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChI Key	HCTJHQFFNDLDPF-UHFFFAOYSA-N
MDL Number	MFCD00085541
Molecular Formula	C12H17NO2
Molecular Weight	207.2689
NSC Number	74954
SMILES	O=C(OCC)CCNCC1=CC=CC=C1
Synonyms	Ethyl 3-(benzylamino)propanoate, 23583-21-3, Ethyl 3-(Benzylamino)propionate, Ethyl N-benzyl-beta-alaninate, N-Benzyl-beta-alanine Ethyl Ester, MFCD00085541, 3-Benzylamino-propionic acid ethyl ester, Ethyl 3-benzylaminopropanoate, HCTJHQFFNDLDPF-UHFFFAOYSA-N, 3-Benzylaminopropionic acid ethyl ester, N-Benzyl-3-aminopropionic Acid Ethyl Ester, ethyl 3-[benzylamino]propanoate, ethyl n-benzyl-|A-alaninate, Ethyl3-(benzylamino)propanoate, Bzl-beta-Ala-OEt, EINECS 245-759-0, PubChem22905, AC1L3JH3, AC1Q34SX, NCIOpen2_003945, Ethyl 3-benzylaminopropionate, SCHEMBL549268, ACMC-209g42, ethyl-beta-benzylaminopropionate, AC1Q658M, CTK3J4810, DTXSID90178222, Ethyl 3-(benzylamino)propanoate #, ACT03763, EBD33614, NSC74954, ZINC1673233, ethyl beta-(N-benzylamino)propionate, ANW-25152, NSC-74954, SBB053722, STK293206, ethyl N-(phenylmethyl)-beta-alaninate, AKOS002126689, AS-5356, CS-W015263, Ethyl 3-(benzylamino)propionate, 97%, MCULE-6941669148, RTC-069534, ETHYL N-BENZYL-3-AMINOPROPIONATE, 3-Benzylamino-propanoic acid ethyl ester, NCGC00329923-01, AJ-29314, AK121779, SC-22758, AB0003820, TC-069534, A4922, FT-0083247, FT-0638336, ST50408325, W4722, beta-Alanine, N-(phenylmethyl)-, ethyl ester, 3-BENZYLAMINOPROPANOIC ACID ETHYL ESTER, C-5099, .beta.-Alanine, N-(phenylmethyl)-, ethyl ester, 3-BENZYLAMINO PROPIONIC ACID ETHYL ESTER, AB00085937-01, AB00085937-03, 3-BENZYL AMINO PROPIONIC ACID ETHYL ESTER, I01-7183, 3-Benzylaminopropionic acid ethyl ester; Ethyl N-benzyl-beta-alaninate, C12H17NO2, N-Benzyl-?-alanine ethyl ester, CID90196, AR-1I9927, C12-H17-N-O2, B1579, N-Benzyl-3-aminopropionic acid ethyl ester, 98% - 1g 1g, 24206-68-6,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.126g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.273g/mol
Monoisotopic Mass	207.126g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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