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1235439-71-0 | Carbamic acid, N-(3-amino-1-methylpropyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1235439-71-0 Catalog No: AG000KS9 MDL No:MFCD12922828
Product Description
Catalog Number:
AG000KS9
Chemical Name:
Carbamic acid, N-(3-amino-1-methylpropyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1235439-71-0
Molecular Formula:
C9H21ClN2O2
Molecular Weight:
224.7282
MDL Number:
MFCD12922828
IUPAC Name:
tert-butyl N-(4-aminobutan-2-yl)carbamate;hydrochloride
InChI:
InChI=1S/C9H20N2O2.ClH/c1-7(5-6-10)11-8(12)13-9(2,3)4;/h7H,5-6,10H2,1-4H3,(H,11,12);1H
InChI Key:
XUYGIQRFKIJQGF-UHFFFAOYSA-N
SMILES:
NCCC(NC(=O)OC(C)(C)C)C.Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.129g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
224.729g/mol
Monoisotopic Mass:
224.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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