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1013333-23-7 | 3-Piperidinol, 4-(aminomethyl)-, hydrochloride (1:2), (3R,4R)-rel-
CAS No: 1013333-23-7 Catalog No: AG000492 MDL No:
Product Description
Catalog Number:
AG000492
Chemical Name:
3-Piperidinol, 4-(aminomethyl)-, hydrochloride (1:2), (3R,4R)-rel-
CAS Number:
1013333-23-7
Molecular Formula:
C6H16Cl2N2O
Molecular Weight:
203.1100
IUPAC Name:
(3S,4S)-4-(aminomethyl)piperidin-3-ol;dihydrochloride
InChI:
InChI=1S/C6H14N2O.2ClH/c7-3-5-1-2-8-4-6(5)9;;/h5-6,8-9H,1-4,7H2;2*1H/t5-,6+;;/m0../s1
InChI Key:
SIBYUDCKMJXCLR-KXSOTYCDSA-N
SMILES:
NC[C@@H]1CCNC[C@H]1O.Cl.Cl
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
202.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
203.107g/mol
Monoisotopic Mass:
202.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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