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116183-83-6 | 3-Pyrrolidinamine, hydrochloride (1:2), (3S)-
CAS No: 116183-83-6 Catalog No: AG000BUI MDL No:MFCD00070605
Product Description
Catalog Number:
AG000BUI
Chemical Name:
3-Pyrrolidinamine, hydrochloride (1:2), (3S)-
CAS Number:
116183-83-6
Molecular Formula:
C4H12Cl2N2
Molecular Weight:
159.0575
MDL Number:
MFCD00070605
IUPAC Name:
(3S)-pyrrolidin-3-amine;dihydrochloride
InChI:
InChI=1S/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H/t4-;;/m0../s1
InChI Key:
NJPNCMOUEXEGBL-FHNDMYTFSA-N
SMILES:
N[C@@H]1CNCC1.Cl.Cl
Properties
Complexity:
44.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
158.038g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
159.054g/mol
Monoisotopic Mass:
158.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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