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159621-78-0 | Phenol, 4-amino-2-(aminomethyl)-, hydrochloride (1:?)
CAS No: 159621-78-0 Catalog No: AG001R8F MDL No:
Product Description
Catalog Number:
AG001R8F
Chemical Name:
Phenol, 4-amino-2-(aminomethyl)-, hydrochloride (1:?)
CAS Number:
159621-78-0
Molecular Formula:
C7H11ClN2O
Molecular Weight:
174.6280
IUPAC Name:
4-amino-2-(aminomethyl)phenol;hydrochloride
InChI:
InChI=1S/C7H10N2O.ClH/c8-4-5-3-6(9)1-2-7(5)10;/h1-3,10H,4,8-9H2;1H
InChI Key:
AOPUSBIMGTVUPK-UHFFFAOYSA-N
SMILES:
NCc1cc(N)ccc1O.Cl
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
174.628g/mol
Monoisotopic Mass:
174.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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