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177489-90-6 | Carbamic acid, N-(3-amino-1-methylpropyl)-, 1,1-dimethylethyl ester
CAS No: 177489-90-6 Catalog No: AG0025CK MDL No:MFCD06804531
Product Description
Catalog Number:
AG0025CK
Chemical Name:
Carbamic acid, N-(3-amino-1-methylpropyl)-, 1,1-dimethylethyl ester
CAS Number:
177489-90-6
Molecular Formula:
C9H20N2O2
Molecular Weight:
188.2673
MDL Number:
MFCD06804531
IUPAC Name:
tert-butyl N-(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)
InChI Key:
JOFFSNZHLGGAJC-UHFFFAOYSA-N
SMILES:
NCCC(NC(=O)OC(C)(C)C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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