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2052-46-2 | 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)
CAS No: 2052-46-2 Catalog No: AG0029XU MDL No:MFCD00012990
Product Description
Catalog Number:
AG0029XU
Chemical Name:
1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)
CAS Number:
2052-46-2
Molecular Formula:
C8H13ClN2
Molecular Weight:
172.6552
MDL Number:
MFCD00012990
IUPAC Name:
4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
InChI:
InChI=1S/C8H12N2.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,9H2,1-2H3;1H
InChI Key:
KTWNIUBGGFBRKH-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)N)C.Cl
NSC Number:
47696
Properties
Complexity:
93.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.077g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.656g/mol
Monoisotopic Mass:
172.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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