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Benzoic acid,4-(diethylamino)-, hydrazide

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Name

Benzoic acid,4-(diethylamino)-, hydrazide

EINECS N/A
CAS No. 100139-54-6 Density 1.102 g/cm3
PSA 58.36000 LogP 2.22750
Solubility N/A Melting Point 99-101 °C
Formula C11H17N3O Boiling Point N/A
Molecular Weight 207.275 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 100139-54-6 (4-(DIETHYLAMINO)BENZHYDRAZIDE) Hazard Symbols IrritantXi
Synonyms

Benzoicacid, p-diethylamino-, hydrazide (6CI);4-(Diethylamino)benzenecarbohydrazide;

 

Benzoic acid,4-(diethylamino)-, hydrazide 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 

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