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176982-57-3 | Carbamic acid, N-[(1S)-3-amino-1-methylpropyl]-, 1,1-dimethylethyl ester
CAS No: 176982-57-3 Catalog No: AG00251F MDL No:MFCD06804537
Product Description
Catalog Number:
AG00251F
Chemical Name:
Carbamic acid, N-[(1S)-3-amino-1-methylpropyl]-, 1,1-dimethylethyl ester
CAS Number:
176982-57-3
Molecular Formula:
C9H20N2O2
Molecular Weight:
188.2673
MDL Number:
MFCD06804537
IUPAC Name:
tert-butyl N-[(2S)-4-aminobutan-2-yl]carbamate
InChI:
InChI=1S/C9H20N2O2/c1-7(5-6-10)11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m0/s1
InChI Key:
JOFFSNZHLGGAJC-ZETCQYMHSA-N
SMILES:
NCC[C@@H](NC(=O)OC(C)(C)C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
188.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.271g/mol
Monoisotopic Mass:
188.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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