AG00056D

1016731-24-0 | 1-Azetidinecarboxylic acid, 3-(aminomethyl)-, phenylmethyl ester

AG00056D

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CAS Number	1016731-24-0
Catalog Number	AG00056D(AGN-PC-04PF3V)
Chemical Name	1-Azetidinecarboxylic acid, 3-(aminomethyl)-, phenylmethyl ester
IUPAC Name	benzyl 3-(aminomethyl)azetidine-1-carboxylate
InChI	InChI=1S/C12H16N2O2/c13-6-11-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2
InChI Key	BYCVYBQLKZYFBQ-UHFFFAOYSA-N
MDL Number	MFCD07772065
Molecular Formula	C12H16N2O2
Molecular Weight	220.2676
SMILES	O=C(N1CC(CN)C1)OCC2=CC=CC=C2
Synonyms	1016731-24-0, BENZYL 3-(AMINOMETHYL)AZETIDINE-1-CARBOXYLATE, 1-CBZ-3-(AMINOMETHYL)AZETIDINE, 1-CBZ-3-AMINOmethylaZETIDINE, n-cbz-azetidin-3-ylmethanamine, DTXSID60640764, 1-Cbz-3-(aminomethyl)-azetidine, HT831, 1-N-Cbz-3-(aminomethyl)azetidine, KS-000002XJ, MFCD07772065, ZINC19432069, AKOS000170258, AC-9651, PB30929, AJ-73481, AS-32863, DB-003366, DB-058638, ST1010019, CS-0049855, FT-0754493, B-1688, Benzyl 3-(aminomethyl);azetidine-1-carboxylate, 3-aminomethyl-azetidine-1-carboxylic acid benzylester, 1-Azetidinecarboxylic acid, 3-(aminomethyl)-, phenylmethyl ester, 112257-20-2 3-aminomethyl-azetidine-1-carboxylic acid benzyl ester, 1-Cbz-3-aminoazetidine, cc-167, ACN-030708, Benzyl3-(aminomethyl)azetidine-1-carboxylate, 1-Azetidinecarboxylic acid, 3-(aminomethyl)-, phenylmethyl e, 112257-20-2, 3-AMINOMETHYL-AZETIDINE-1-CARBOXYLIC ACID BENZYL ESTER,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.121g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.272g/mol
Monoisotopic Mass	220.121g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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