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1627595-60-1 | 1-Pyrrolidinecarboxylic acid, 4-(aminomethyl)-3,3-difluoro-, 1,1-dimethylethyl ester
CAS No: 1627595-60-1 Catalog No: AG001TEV MDL No:MFCD27987655
Product Description
Catalog Number:
AG001TEV
Chemical Name:
1-Pyrrolidinecarboxylic acid, 4-(aminomethyl)-3,3-difluoro-, 1,1-dimethylethyl ester
CAS Number:
1627595-60-1
Molecular Formula:
C10H18F2N2O2
Molecular Weight:
236.2589
MDL Number:
MFCD27987655
IUPAC Name:
tert-butyl 4-(aminomethyl)-3,3-difluoropyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-5-7(4-13)10(11,12)6-14/h7H,4-6,13H2,1-3H3
InChI Key:
LJBSWTXFLVTCDQ-UHFFFAOYSA-N
SMILES:
NCC1CN(CC1(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.134g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.263g/mol
Monoisotopic Mass:
236.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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