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1158409-86-9

1158409-86-9 | 1,3-Benzodioxole-5-methanamine, N-ethyl-, hydrochloride (1:1)

CAS No: 1158409-86-9 Catalog No: AG000GXX MDL No:MFCD07106856

Product Description

Catalog Number:
AG000GXX
Chemical Name:
1,3-Benzodioxole-5-methanamine, N-ethyl-, hydrochloride (1:1)
CAS Number:
1158409-86-9
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
MDL Number:
MFCD07106856
IUPAC Name:
N-(1,3-benzodioxol-5-ylmethyl)ethanamine;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c1-2-11-6-8-3-4-9-10(5-8)13-7-12-9;/h3-5,11H,2,6-7H2,1H3;1H
InChI Key:
KNQXEQOIRXNCPD-UHFFFAOYSA-N
SMILES:
CCNCc1ccc2c(c1)OCO2.Cl
NSC Number:
131722

Properties

Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.677g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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