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| CAS No.: | 885499-61-6 |
|---|---|
| Name: | CCT128930 |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C18H20ClN5 |
| Molecular Weight: | 341.843 |
| Synonyms: | 4-Piperidinamine, 4-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-; |
| Density: | 1.331 g/cm3 |
| Boiling Point: | 547.902 °C at 760 mmHg |
| Flash Point: | 285.161 °C |
| PSA: | 70.83000 |
| LogP: | 3.91700 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- Total:25 Page 1 of 1 1
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Specification
The CCT-128930, with the CAS registry number 885499-61-6, is also known as 4-Piperidinamine, 4-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-. This chemical's molecular formula is C18H20ClN5 and molecular weight is 341.84. What's more, its systematic name is called 4-(4-Chlorobenzyl)-1-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinamine.
Physical properties about CCT-128930 are: (1)ACD/LogP: 2.928; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.62; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 4.25; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 40.11; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 70.83 Å2; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 97.047 cm3; (15)Molar Volume: 256.841 cm3; (16)Polarizability: 38.473×10-24cm3; (17)Surface Tension: 67.150 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 285.161 °C; (20)Enthalpy of Vaporization: 82.735 kJ/mol; (21)Boiling Point: 547.902 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl
(2) InChI: InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
(3) InChIKey: RZIDZIGAXXNODG-UHFFFAOYSA-N