AG004C40

888298-05-3 | [(1R)-3-Hydroxy-1-phenylpropyl]carbamic acid benzyl ester

AG004C40

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CAS Number	888298-05-3
Catalog Number	AG004C40(AGN-PC-0VO0A5)
Chemical Name	[(1R)-3-Hydroxy-1-phenylpropyl]carbamic acid benzyl ester
IUPAC Name	benzyl N-[(1R)-3-hydroxy-1-phenylpropyl]carbamate
InChI	InChI=1S/C17H19NO3/c19-12-11-16(15-9-5-2-6-10-15)18-17(20)21-13-14-7-3-1-4-8-14/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m1/s1
InChI Key	LHJCROXNTSGDSP-MRXNPFEDSA-N
MDL Number	MFCD16658905
Molecular Formula	C17H19NO3
Molecular Weight	285.3377
SMILES	O(CC1C=CC=CC=1)C(N[C@H](CCO)C1C=CC=CC=1)=O
Synonyms	(R)-Cbz-3-amino-3-phenylpropan-1-ol, 888298-05-3, Cbz-R-3-amino-3-phenylpropan-1-ol, AK-43952, KS-00000OLS, [(1R)-3-Hydroxy-1-phenylpropyl]carbamic acid benzyl ester, 869468-32-6, FD1004, MFCD16658905, ZINC71253215, AC-23780, DS-14346, AJ-117627, AX8211530, DB-078229, FT-0687324, benzyl (R)-(3-hydroxy-1-phenylpropyl)carbamate, [(R)-1-Phenyl-3-hydroxypropyl]carbamic acid benzyl ester, [(1R)-3-hydroxy-1-phenylpropyl]Carbamic acid phenylmethyl ester, CB11945, (S)-Cbz-3-Amino-3-phenylpropan-1-ol, Cbz-(R)-3-amino-3-phenylpropan-1-ol, 98% - 1G 1g,

Complexity	296
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	285.136g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	285.343g/mol
Monoisotopic Mass	285.136g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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