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Home > Amines > 113511-49-2

113511-49-2

113511-49-2 | 1,3-Benzodioxole-5-propanol, γ-amino-, hydrochloride (1:1)

CAS No: 113511-49-2 Catalog No: AG0008UD MDL No:MFCD06211985

Product Description

Catalog Number:
AG0008UD
Chemical Name:
1,3-Benzodioxole-5-propanol, γ-amino-, hydrochloride (1:1)
CAS Number:
113511-49-2
Molecular Formula:
C10H14ClNO3
Molecular Weight:
231.6761
MDL Number:
MFCD06211985
IUPAC Name:
3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
InChI:
InChI=1S/C10H13NO3.ClH/c11-8(3-4-12)7-1-2-9-10(5-7)14-6-13-9;/h1-2,5,8,12H,3-4,6,11H2;1H
InChI Key:
LZIDAQCWYQPNBJ-UHFFFAOYSA-N
SMILES:
OCCC(c1ccc2c(c1)OCO2)N.Cl

Properties

Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.066g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
231.676g/mol
Monoisotopic Mass:
231.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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