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CAS No.: | 49800-23-9 |
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Name: | 1,2,3,4-TETRAHYDRO-1-NAPHTHYLAMINE HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C10H14ClN |
Molecular Weight: | 183.681 |
Synonyms: | 1-Naphthalenamine,1,2,3,4-tetrahydro-, hydrochloride (9CI);1-Naphthalenamine, 1,2,3,4-tetrahydro-,hydrochloride, (?à)-;1-Naphthylamine, 1,2,3,4-tetrahydro-, hydrochloride (8CI);(?à)-1,2,3,4-Tetrahydro-1-naphthylaminehydrochloride;1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride; |
Density: | 0.974 g/mL at 25 °C(lit.) |
Melting Point: | 185-187 °C(lit.) |
Boiling Point: | 249.6 °C at 760 mmHg |
Flash Point: | 110.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 26.02000 |
LogP: | 3.52500 |
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The 1-Naphthalenamine,1,2,3,4-tetrahydro-, hydrochloride (1:1), with the CAS registry number 49800-23-9, has the systematic name of 1,2,3,4-tetrahydronaphthalen-1-amine. It belongs to the following product categories: Amine Salts; Nitrogen Compounds; Organic Building Blocks. And the molecular formula of the chemical is C10H14ClN.
The characteristics of 1-Naphthalenamine,1,2,3,4-tetrahydro-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.89; (4)ACD/LogD (pH 7.4): -0.04; (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): 2.21; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Flash Point: 110.8 °C; (14)Enthalpy of Vaporization: 48.68 kJ/mol; (15)Boiling Point: 249.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0228 mmHg at 25°C.
Uses of 1-Naphthalenamine,1,2,3,4-tetrahydro-, hydrochloride (1:1): It can react with 4,6-dichloro-pyrimidin-5-ylamine to produce 5-Amino-4-chloro-6-(1,2,3,4-tetrahydro-1-naphthylamino)pyrimidine. And the yield is about 20%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].c1ccc2c(c1)CCCC2[NH3+]
(2)InChI: InChI=1/C10H13N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7,11H2;1H
(3)InChIKey: DETWFIUAXSWCIK-UHFFFAOYAP