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116599-06-5 | 1,2-Benzenediamine, 4-ethyl-, hydrochloride (1:1)
CAS No: 116599-06-5 Catalog No: AG000CU7 MDL No:MFCD20266448
Product Description
Catalog Number:
AG000CU7
Chemical Name:
1,2-Benzenediamine, 4-ethyl-, hydrochloride (1:1)
CAS Number:
116599-06-5
Molecular Formula:
C8H13ClN2
Molecular Weight:
172.6552
MDL Number:
MFCD20266448
IUPAC Name:
4-ethylbenzene-1,2-diamine;dihydrochloride
InChI:
InChI=1S/C8H12N2.2ClH/c1-2-6-3-4-7(9)8(10)5-6;;/h3-5H,2,9-10H2,1H3;2*1H
InChI Key:
UUQDJQXMGZLMOO-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)N)N.Cl
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
209.114g/mol
Monoisotopic Mass:
208.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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