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| CAS No.: | 117009-97-9 |
|---|---|
| Name: | BENZYL 1-HOMOPIPERAZINECARBOXYLATE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C13H18N2O2 |
| Molecular Weight: | 234.298 |
| Synonyms: | 1-(Benzyloxycarbonyl)homopiperazine;Benzyl1-homopiperazinecarboxylate;benzyl 1,4-diazepane-1-carboxylate;1H-1,4-diazepine-1-carboxylic acid, hexahydro-, phenylmethyl ester; |
| EINECS: | 231-313-2 |
| Density: | 1.117 g/cm3 |
| Boiling Point: | 367.9 °C at 760 mmHg |
| Flash Point: | 176.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 26-36 |
| PSA: | 41.57000 |
| LogP: | 1.88520 |
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- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
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- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- Total:32 Page 1 of 1 1
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Specification
The Benzyl1,4-diazepane-1-carboxylate, with the CAS registry number 117009-97-9 and EINECS registry number 231-313-2, has the systematic name of benzyl 1,4-diazepane-1-carboxylate. And the molecular formula of this chemical is C13H18N2O2. What's more, it should be sealed and stored in a dark, ventilated, cool and dry place, and be protected from oxidizers at the same time.
The physical properties of Benzyl1,4-diazepane-1-carboxylate are as followings: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.5; (4)ACD/LogD (pH 7.4): -0.53; (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): 1.36; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 65.41 cm3; (15)Molar Volume: 209.6 cm3; (16)Polarizability: 25.93×10-24cm3; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.117 g/cm3; (19)Flash Point: 176.3 °C; (20)Enthalpy of Vaporization: 61.45 kJ/mol; (21)Boiling Point: 367.9 °C at 760 mmHg; (22)Vapour Pressure: 1.32E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCCNCC2
(2)InChI: InChI=1/C13H18N2O2/c16-13(15-9-4-7-14-8-10-15)17-11-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2
(3)InChIKey: BXDQJVDEALOIQW-UHFFFAOYAQ