AG00DCFO

4801-79-0 | (S)-Benzyl (1-amino-4-methyl-1-oxopentan-2-yl)carbamate

AG00DCFO

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CAS Number	4801-79-0
Catalog Number	AG00DCFO(AGN-PC-0RY46A)
Chemical Name	(S)-Benzyl (1-amino-4-methyl-1-oxopentan-2-yl)carbamate
IUPAC Name	benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
InChI	InChI=1S/C14H20N2O3/c1-10(2)8-12(13(15)17)16-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,17)(H,16,18)/t12-/m0/s1
InChI Key	JZEYMGMOBIYUOV-LBPRGKRZSA-N
MDL Number	MFCD00080252
Molecular Formula	C14H20N2O3
Molecular Weight	264.3202
SMILES	[H][C@@](CC(C)C)(NC(=O)OCC1=CC=CC=C1)C(N)=O
Synonyms	4801-79-0, Z-LEU-NH2, (S)-Benzyl (1-amino-4-methyl-1-oxopentan-2-yl)carbamate, Z-L-Leucineamide, z-l-leucine amide, AC1Q1OAF, SCHEMBL608854, CTK8B9813, DTXSID40473234, ZINC2571885, ANW-63182, MFCD00080252, AKOS016004442, ACM4801790, FCH3609318, AJ-41948, AS-49227, N~2~-[(Benzyloxy)carbonyl]-L-leucinamide, AX8040045, TC-151927, K-9159, benzyl N-[(1S)-1-carbamoyl-3-methylbutyl]carbamate, benzyl (1S)-1-(aminocarbonyl)-3-methylbutylcarbamate, CID11807548, Benzyl N-(1-carbamoyl-3-methyl-butyl)carbamate,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	264.147g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	264.325g/mol
Monoisotopic Mass	264.147g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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