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186550-13-0 | 1-Boc-3-aminopyrrolidine
CAS No: 186550-13-0 Catalog No: AG0032OP MDL No:MFCD01861220
Product Description
Catalog Number:
AG0032OP
Chemical Name:
1-Boc-3-aminopyrrolidine
CAS Number:
186550-13-0
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
MDL Number:
MFCD01861220
IUPAC Name:
tert-butyl 3-aminopyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3
InChI Key:
CMIBWIAICVBURI-UHFFFAOYSA-N
SMILES:
NC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
198
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:
1
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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