CAS 10420-89-0 1-Naphthalenemethanamine, alpha-methyl-, (alphaS)- (HCID 66325)

개요

See also: (1S)-1-Naphthylethylamine (annotation moved to).

이름 및 식별자

우선 이름: 1-Naphthalenemethanamine, alpha-methyl-, (alphaS)-
IUPAC: (1S)-1-naphthalen-1-ylethanamine
영어명: (S)-(-)-1-(1-Naphthyl)ethylamine
분자식: C12H13N
분자량: 171.24

이름 및 동의어

(S)-(-)-1-(1-Naphthyl)ethylamine(S)-alpha-Methyl-1-naphthalenemethanamine(-)-1-(1-naphthyl)ethylamineAI3-268581-Naphthalenemethanamine, alpha-methyl-, (alphaS)-DTXSID2010145491-Naphthalenemethanamine, alpha-methyl-, (S)-(-)-1-Naphthalenemethanamine, .alpha.-methyl-, (.alpha.S)-RefChem:434793DTXCID701437122600-536-010420-89-0

이름 더 보기

Cinacalcet-22Cinacalcet Impurity 35Cinacalcet Impurity 731-(1-Naphthyl)ethanamineL-A-(1-NAPHTHYL)ETHYLAMINE(S) 1-(1-NAPTHYL)ETHYLAMINE(s)-1-naphthalenemethanamin

(1S)-1-(Naphthalen-1-Yl)Ethan-1-Amine(S)-1-(naphthalen-1-yl)ethanamineMFCD00064179(1S)-1-(1-naphthyl)ethanamine(1S)-1-naphthalen-1-ylethanamine(S)-(-)-alpha-(1-Naphthyl)ethylamine(S)-1-(1-Naphthyl)ethylamineCinacalcet Impurity 58

데이터베이스 식별자

CAS: 10420-89-0
PubChem CID: 66325
DTXSID: DTXSID201014549
UNII: XNJ82A6G3C
EC Number: 600-536-0
Nikkaji: J53.227D

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 167

물리화학적 성질

끓는 점: 153 °C/11 · 153 °C/11 mmHg (lit.)
밀도: 1.067 g/mL · 1.067 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.623(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 에탄올에 용해됩니다.
물리적 상태: 액체
산도 계수 (pKa): 9.26 · 9.26±0.40(Predicted)
색상: 갈색
BRN: 2208024 · 2208024
InChI: 1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m0/s1
InChIKey: RTCUCQWIICFPOD-VIFPVBQESA-N
SMILES: C[C@H](N)c1cccc2ccccc12
NIST: (S)-(-)-«alpha»-(1-naphthyl)ethylamine(10420-89-0)
EPA: 1 · 1-Naphthalenemethanamine, .alpha.-methyl-, (.alpha.S)- (10420-89-0)

화학적 성질 · 1건

(S)-(-)-1-(1-Naphthyl)ethylamine is a colourless to light orange to yellow transparent liquid, hygroscopicity, thermal sensitivity. Density: 1.067 g/mL (lit.) at 20 °C; Boiling Point: 125 °C/3 mmHg; Specific Gravity (20/20): 1.07; Refractive Index: 1.62. Store under inert gas. It can undergo substitution reactions.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (71%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 155 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information1-Naphthalenemethanamine, .alpha.-methyl-, (.alpha.S)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (71%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: QJ6963000
ridadr: 2735
HS 번호: 29214990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
포장분류: II
위험 등급: 8
F 고인화성물질: 10-34
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1-Naphthalenemethanamine, .alpha.-methyl-, (.alpha.S)-: ACTIVE

응용 분야 · 1건

개요(S)-(-)-1-(1-Naphthyl)ethylamine is an organic compound used as a raw material for organic synthesis. Chiral moieties were connected to the heteroatom-bridged calix-triazin scaffold by reactions of (S)- or (R)-(+)-1-(1-Naphthyl)ethylamine with tetraazacalix[4]arene[2]triazine.