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CAS No.: | 637-33-2 |
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Name: | 3-hydroxybenzylhydrazine |
Molecular Structure: | |
Formula: | C7H10N2O |
Molecular Weight: | 138.169 |
Synonyms: | Phenol,3-(hydrazinomethyl)- (9CI);m-Cresol, a-hydrazino- (7CI,8CI);(3-Hydroxybenzyl)hydrazine;NSD1015;m-Hydroxybenzylhydrazine;3-(Hydrazinylmethyl)phenol; |
Density: | 1.184 g/cm3 |
Melting Point: | 114-115℃ |
Boiling Point: | 357.7 °C at 760 mmHg |
Flash Point: | 170.1 °C |
PSA: | 58.28000 |
LogP: | 1.44670 |
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The Phenol,3-(hydrazinylmethyl)-, with the CAS registry number 637-33-2, is also known as (3-Hydroxybenzyl)hydrazine. This chemical's molecular formula is C7H10N2O and molecular weight is 138.17. What's more, its systematic name is 3-(Hydrazinylmethyl)phenol and its classification codes are Enzyme inhibitors; Mutation data.
Physical properties of Phenol,3-(hydrazinylmethyl)- are: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.05; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 9.38; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 40.18 cm3; (15)Molar Volume: 116.6 cm3; (16)Polarizability: 15.92×10-24 cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.184 g/cm3; (19)Flash Point: 170.1 °C; (20)Enthalpy of Vaporization: 62.69 kJ/mol; (21)Boiling Point: 357.7 °C at 760 mmHg; (22)Vapour Pressure: 1.3E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)O)CNN
(2)InChI: InChI=1S/C7H10N2O/c8-9-5-6-2-1-3-7(10)4-6/h1-4,9-10H,5,8H2
(3)InChIKey: OFKWWALNMPEOSZ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 154 mg/kg (154 mg/kg) | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 503, 1962. |