AG00BZPZ

374554-26-4 | 3-N-Cbz-Aminomethylaniline

AG00BZPZ

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CAS Number	374554-26-4
Catalog Number	AG00BZPZ(AGN-PC-0KKLQ5)
Chemical Name	3-N-Cbz-Aminomethylaniline
IUPAC Name	benzyl N-[(3-aminophenyl)methyl]carbamate
InChI	InChI=1S/C15H16N2O2/c16-14-8-4-7-13(9-14)10-17-15(18)19-11-12-5-2-1-3-6-12/h1-9H,10-11,16H2,(H,17,18)
InChI Key	ODFMBKSFAAEDJV-UHFFFAOYSA-N
MDL Number	MFCD03426378
Molecular Formula	C15H16N2O2
Molecular Weight	256.2997
SMILES	NC1=CC=CC(CNC(OCC2=CC=CC=C2)=O)=C1
Synonyms	3-N-Cbz-Aminomethylaniline, 374554-26-4, benzyl 3-aminobenzylcarbamate, (3-amino-benzyl)-carbamic acid benzyl ester, benzyl N-[(3-aminophenyl)methyl]carbamate, zlchem 1346, AC1MBVQE, SCHEMBL3865410, CTK8F0094, DTXSID00373867, ZLE0124, ODFMBKSFAAEDJV-UHFFFAOYSA-N, ZINC2580930, MFCD03426378, AKOS027327657, AS-37325, AB0075751, RT-008829, FT-0686406, X-3580, ZINC02580930, 3-N-CBZ-AMINOMETHYLANILINE HCL, CID2757380, A13403,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.121g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	256.305g/mol
Monoisotopic Mass	256.121g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	64.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code	\N

Certificate of Analysis

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