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88463-19-8 | Carbamic acid, [1-(aminocarbonyl)-2-methylpropyl]-, phenylmethyl ester
CAS No: 88463-19-8 Catalog No: AG004BW3 MDL No:
Product Description
Catalog Number:
AG004BW3
Chemical Name:
Carbamic acid, [1-(aminocarbonyl)-2-methylpropyl]-, phenylmethyl ester
CAS Number:
88463-19-8
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
benzyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
InChI:
InChI=1S/C13H18N2O3/c1-9(2)11(12(14)16)15-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H2,14,16)(H,15,17)
InChI Key:
LWAHIZLDUQONHV-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)N)NC(=O)OCc1ccccc1)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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