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130985-81-8

130985-81-8 | 3-Pentanamine, N-methyl-, hydrochloride (1:1)

CAS No: 130985-81-8 Catalog No: AG000V7L MDL No:MFCD08689639

Product Description

Catalog Number:
AG000V7L
Chemical Name:
3-Pentanamine, N-methyl-, hydrochloride (1:1)
CAS Number:
130985-81-8
Molecular Formula:
C6H16ClN
Molecular Weight:
137.6509
MDL Number:
MFCD08689639
IUPAC Name:
N-methylpentan-3-amine;hydrochloride
InChI:
InChI=1S/C6H15N.ClH/c1-4-6(5-2)7-3;/h6-7H,4-5H2,1-3H3;1H
InChI Key:
VTOBVEWRGMUFJJ-UHFFFAOYSA-N
SMILES:
CCC(NC)CC.Cl

Properties

Complexity:
31.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.097g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
137.651g/mol
Monoisotopic Mass:
137.097g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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