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| CAS No.: | 19970-80-0 |
|---|---|
| Name: | tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C11H24N2O2 |
| Molecular Weight: | 216.324 |
| Synonyms: | N,N'-Bis(3-hydroxypropyl)homopiperazine; |
| EINECS: | 243-445-8 |
| Density: | 1.032g/cm3 |
| Boiling Point: | 360.8°Cat760mmHg |
| Flash Point: | 176.6°C |
| PSA: | 46.94000 |
| LogP: | -0.36530 |
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- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- Total:38 Page 1 of 1 1
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Specification
The Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol with the cas number 19970-80-0 is also called 1H-1,4-Diazepine-1,4(5H)-dipropanol,tetrahydro-. The IUPAC name is 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol. Its EINECS registry number is 243-445-8. The molecular formula is C11H24N2O2.
The properties of the chemical are: (1)ACD/LogP: -1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.43; (4)ACD/LogD (pH 7.4): -2.64; (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; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 24.94 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 61.18 cm3; (15)Molar Volume: 209.4 cm3; (16)Polarizability: 24.25×10-24cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Enthalpy of Vaporization: 70.21 kJ/mol; (19)Vapour Pressure: 1.16×10-6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCN1CCCN(CCCO)CC1
(2)InChI: InChI=1/C11H24N2O2/c14-10-2-6-12-4-1-5-13(9-8-12)7-3-11-15/h14-15H,1-11H2
(3)InChIKey: WYKDLBVWXHCAJC-UHFFFAOYAM