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127199-54-6 | Carbamic acid, [(3S,4S)-4-methyl-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 127199-54-6 Catalog No: AG000WRM MDL No:MFCD18432662
Product Description
Catalog Number:
AG000WRM
Chemical Name:
Carbamic acid, [(3S,4S)-4-methyl-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
127199-54-6
Molecular Formula:
C10H20N2O2
Molecular Weight:
200.2780
MDL Number:
MFCD18432662
IUPAC Name:
tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C10H20N2O2/c1-7-5-11-6-8(7)12-9(13)14-10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m0/s1
InChI Key:
BKITXDSDJGOXPN-JGVFFNPUSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CNC[C@@H]1C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
200.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.282g/mol
Monoisotopic Mass:
200.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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