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100-04-9

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Basic Information
CAS No.: 100-04-9
Name: 4-(N,N-dimethylamino)benzenediazonium chloride
Article Data: 10
Molecular Structure:
Molecular Structure of 100-04-9 (4-(N,N-dimethylamino)benzenediazonium chloride)
Formula: C8H10ClN3
Molecular Weight: 183.64
Synonyms: Benzenediazonium,4-(dimethylamino)-, chloride (9CI);Benzenediazonium, p-(dimethylamino)-,chloride (8CI);p-(Dimethylamino)benzenediazonium chloride (6CI,7CI);4-(Dimethylamino)benzenediazonium chloride;DH 100CONC;
EINECS: 202-813-8
PSA: 31.39000
LogP: -0.75882
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Specification

The Benzenediazonium,4-(dimethylamino)-, chloride (1:1), with the CAS registry number 100-04-9 and EINECS registry number 202-813-8, has the systematic name and IUPAC name of 4-(dimethylamino)benzenediazonium chloride. And the molecular formula of the chemical is C8H10ClN3.

The characteristics of Benzenediazonium,4-(dimethylamino)-, chloride (1:1) are as followings: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 3; (3)Rotatable Bond Count: 1; (4)Exact Mass: 183.056325; (5)MonoIsotopic Mass: 183.056325; (6)Topological Polar Surface Area: 31.4; (7)Heavy Atom Count: 12; (8)Formal Charge: 0; (9)Complexity: 159; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].N#[N+]c1ccc(N(C)C)cc1
(2)InChI: InChI=1/C8H10N3.ClH/c1-11(2)8-5-3-7(10-9)4-6-8;/h3-6H,1-2H3;1H/q+1;/p-1
(3)InChIKey: CCIAVEMREXZXAK-REWHXWOFAC