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147081-44-5 | (3S)-3-amino-1-(tert-butoxycarbonyl)-pyrrolidine
CAS No: 147081-44-5 Catalog No: AG00364I MDL No:MFCD03419271
Product Description
Catalog Number:
AG00364I
Chemical Name:
(3S)-3-amino-1-(tert-butoxycarbonyl)-pyrrolidine
CAS Number:
147081-44-5
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
MDL Number:
MFCD03419271
IUPAC Name:
tert-butyl (3S)-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/t7-/m0/s1
InChI Key:
CMIBWIAICVBURI-ZETCQYMHSA-N
SMILES:
N[C@H]1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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