CAS No.100139-54-6,4-(DIETHYLAMINO)BENZHYDRAZIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	100139-54-6
Name:	4-(DIETHYLAMINO)BENZHYDRAZIDE

Formula:	C₁₁H₁₇N₃O
Molecular Weight:	207.275
Synonyms:	Benzoicacid, p-diethylamino-, hydrazide (6CI);4-(Diethylamino)benzenecarbohydrazide;
Density:	1.102 g/cm³
Melting Point:	99-101 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	58.36000
LogP:	2.22750

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Specification

The Benzoic acid,4-(diethylamino)-, hydrazide, with its CAS registry number 100139-54-6, has the IUPAC name of 4-(diethylamino)benzohydrazide. And it has the molecular formula of C₁₁H₁₇N₃O and the molecular weight of 207.27.

The characteristics of Benzoic acid,4-(diethylamino)-, hydrazide are as follows: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 11.23; (6)ACD/BCF (pH 7.4): 12.07; (7)ACD/KOC (pH 5.5): 192.54; (8)ACD/KOC (pH 7.4): 206.91; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.79 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 62.35 cm³; (15)Molar Volume: 187.9 cm³; (16)Polarizability: 24.72×10^-24cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.102 g/cm³; (19)Exact Mass: 207.137162; (20)MonoIsotopic Mass: 207.137162; (21)Topological Polar Surface Area: 58.4; (22)Heavy Atom Count: 15; (23)Complexity: 196; (24)Covalently-Bonded Unit Count: 1; (25)Feature 3D Acceptor Count: 1; (26)Feature 3D Donor Count: 2; (27)Feature 3D Cation Count: 1; (28)Feature 3D Ring Count: 1; (29)Effective Rotor Count: 5; (30)Conformer Sampling RMSD 0.6.

When you are using this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)NN
(2)InChI: InChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)
(3)InChIKey: PUNSOBLTEWFAMJ-UHFFFAOYSA-N