Products Categories
| CAS No.: | 149353-95-7 |
|---|---|
| Name: | 2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLIC ACID |
| Molecular Structure: | |
|
|
|
| Formula: | C15H19NO4 |
| Molecular Weight: | 277.32 |
| Synonyms: | 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylicacid;N-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;2,7(1H)-isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester;3,4-Dihydro-1H-isoquinoline-2,7-dicarboxylic acid 2-tert-butyl ester;2-Boc-1,2,3,4-Tetrahydroisoquinoline-7-Carboxylic Acid; |
| Density: | 1.221 g/cm3 |
| Melting Point: | 151-153 °C |
| Boiling Point: | 429.3 °C at 760 mmHg |
| Flash Point: | 213.4 °C |
| PSA: | 66.84000 |
| LogP: | 2.61590 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 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
- 47087-37-6Z-D-Glu-OMe
- 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
What can I do for you?
Get Best Price
Specification
The N-Boc-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid, with the CAS registry number 149353-95-7, has the systematic name of 2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C15H19NO4.
The characteristics of N-Boc-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid are as followings: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 3.69; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 40.53; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.84 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 73.73 cm3; (15)Molar Volume: 227 cm3; (16)Polarizability: 29.23×10-24cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.221 g/cm3; (19)Flash Point: 213.4 °C; (20)Enthalpy of Vaporization: 72.16 kJ/mol; (21)Boiling Point: 429.3 °C at 760 mmHg; (22)Vapour Pressure: 3.93E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)c1ccc2CCN(Cc2c1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-10-4-5-11(13(17)18)8-12(10)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
(3)InChIKey: FOOWPXAXLKCQAE-UHFFFAOYAS