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Hexanedioicacid, 1,6-dihydrazide(CAS No. 1071-93-8)

Hexanedioicacid, 1,6-dihydrazide C6H14N4O2 (cas 1071-93-8) Molecular Structure

1071-93-8 Structure

Identification and Related Records

【Name】
Hexanedioicacid, 1,6-dihydrazide
【CAS Registry number】
1071-93-8
【Synonyms】
Adipicacid, dihydrazide (6CI,7CI,8CI)
Hexanedioic acid, dihydrazide (9CI)
ADH(hydrazide)
ADH 4S
ADH-J
ADH-S
Adipoyl dihydrazide
Adipoyl hydrazide
Adipoyldihydrazine
BK 1000Z
BT 1000Z
NSC 29542
NSC 3378
Qualimer ADH
【EINECS(EC#)】
213-999-5
【Molecular Formula】
C6H14N4O2 (Products with the same molecular formula)
【Molecular Weight】
174.2
【Inchi】
InChI=1/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
【InChIKey】
IBVAQQYNSHJXBV-UHFFFAOYSA-N
【Canonical SMILES】
C(CCC(=O)NN)CC(=O)NN
【MOL File】
1071-93-8.mol

Chemical and Physical Properties

【Appearance】
slightly yellow crystalline powder
【Density】
1.186 g/cm3
【Melting Point】
175-182℃
【Boiling Point】
519.3 oC at 760 mmHg
【Vapour】
6.92E-11mmHg at 25°C
【Refractive Index】
1.513
【Flash Point】
> 109 C
【Water】
soluble
【Solubilities】
50 g/l AUTOIGNITION
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29280090
【Storage temp】
?20°C
【Computed Properties】
Molecular Weight:174.20096 [g/mol]
Molecular Formula:C6H14N4O2
XLogP3-AA:-2.1
H-Bond Donor:4
H-Bond Acceptor:4
Rotatable Bond Count:5
Tautomer Count:3
Exact Mass:174.111676
MonoIsotopic Mass:174.111676
Topological Polar Surface Area:110
Heavy Atom Count:12
Formal Charge:0
Complexity:142
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:4
Feature 3D Hydrophobe Count:1
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:47

Safety and Handling

【Hazard Codes】
UN NO.
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Hazard Note】

Irritant

【Transport】
25kgs

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