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1027338-34-6 | Carbamic acid, N-[1-(aminomethyl)cyclopropyl]-, 1,1-dimethylethyl ester
CAS No: 1027338-34-6 Catalog No: AG00088U MDL No:MFCD12404931
Product Description
Catalog Number:
AG00088U
Chemical Name:
Carbamic acid, N-[1-(aminomethyl)cyclopropyl]-, 1,1-dimethylethyl ester
CAS Number:
1027338-34-6
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
MDL Number:
MFCD12404931
IUPAC Name:
tert-butyl N-[1-(aminomethyl)cyclopropyl]carbamate
InChI:
InChI=1S/C9H18N2O2/c1-8(2,3)13-7(12)11-9(6-10)4-5-9/h4-6,10H2,1-3H3,(H,11,12)
InChI Key:
RPSISDKVKZYNRL-UHFFFAOYSA-N
SMILES:
NCC1(CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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