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1452519-32-2 | 3-Pyrrolidinemethanol, hydrochloride, hydrate (1:1:1)
CAS No: 1452519-32-2 Catalog No: AG001KQ3 MDL No:MFCD23135863
Product Description
Catalog Number:
AG001KQ3
Chemical Name:
3-Pyrrolidinemethanol, hydrochloride, hydrate (1:1:1)
CAS Number:
1452519-32-2
Molecular Formula:
C5H14ClNO2
Molecular Weight:
155.6232
MDL Number:
MFCD23135863
IUPAC Name:
pyrrolidin-3-ylmethanol;hydrate;hydrochloride
InChI:
InChI=1S/C5H11NO.ClH.H2O/c7-4-5-1-2-6-3-5;;/h5-7H,1-4H2;1H;1H2
InChI Key:
DTRUQHLMAAARJU-UHFFFAOYSA-N
SMILES:
OCC1CNCC1.O.Cl
Properties
Complexity:
56
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.071g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
155.622g/mol
Monoisotopic Mass:
155.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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