2-Naphthalenecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,4-tetrahydro- supplier

Name
2-(TERT-BUTOXYCARBONYLAMINO)-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID
EINECS 205-525-8
CAS No. 98569-12-1
Density 1.2 g/cm³
Solubility soluble in water,soluble in methanol, chloroform
Melting Point 185-187 °C
Formula C₁₆H₂₁NO₄
Boiling Point 472.2 °C at 760 mmHg
Molecular Weight 291.34
Flash Point 239.4 °C
Transport Information
Appearance white to almost white granular crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Naphthalenecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,4-tetrahydro-, (?à)-;2-tert-Butoxycarbonylamino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;2-[(tert-butoxycarbonyl)amino]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;2-Naphthalenecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,4-tetrahydro-;
PSA 75.63000
LogP 2.91430

2-Naphthalenecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,4-tetrahydro- Specification

The 2-Naphthalenecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,4-tetrahydro-, with the CAS registry number 98569-12-1, has the systematic name of 2-[(tert-butoxycarbonyl)amino]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid. It is a kind of white to almost white granular crystalline powder, and the molecular formula of the chemical is C₁₆H₂₁NO₄. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes, and it should be stored at 0-6°C.

The characteristics of 2-Naphthalenecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,4-tetrahydro- are as followings: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): -0.12; (5)ACD/BCF (pH 5.5): 1.88; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.75; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 78.18 cm³; (15)Molar Volume: 241 cm³; (16)Polarizability: 30.99×10^-24cm³; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.2 g/cm³; (19)Flash Point: 239.4 °C; (20)Enthalpy of Vaporization: 77.44 kJ/mol; (21)Boiling Point: 472.2 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC2(C(=O)O)Cc1c(cccc1)CC2
(2)InChI: InChI=1/C16H21NO4/c1-15(2,3)21-14(20)17-16(13(18)19)9-8-11-6-4-5-7-12(11)10-16/h4-7H,8-10H2,1-3H3,(H,17,20)(H,18,19)
(3)InChIKey: DSDQZWPRZHNCIX-UHFFFAOYAS

Product Name

2-(TERT-BUTOXYCARBONYLAMINO)-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID

2-Naphthalenecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,4-tetrahydro- Specification

Related Products

Hot Products