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1162257-52-4

1162257-52-4 | Benzenemethanamine, 3-ethynyl-, hydrochloride (1:1)

CAS No: 1162257-52-4 Catalog No: AG000BZ3 MDL No:MFCD26404341

Product Description

Catalog Number:
AG000BZ3
Chemical Name:
Benzenemethanamine, 3-ethynyl-, hydrochloride (1:1)
CAS Number:
1162257-52-4
Molecular Formula:
C9H10ClN
Molecular Weight:
167.6354
MDL Number:
MFCD26404341
IUPAC Name:
(2-ethynylphenyl)methanamine;hydrochloride
InChI:
InChI=1S/C9H9N.ClH/c1-2-8-5-3-4-6-9(8)7-10;/h1,3-6H,7,10H2;1H
InChI Key:
PMDYYAUPICMOPS-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)C#C.Cl

Properties

Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.05g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.636g/mol
Monoisotopic Mass:
167.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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