1-나프탈렌에탄광산HCl

1-Naphthaleneethanamine

HCID 20853CAS 4735-50-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCc1cccc2ccccc12
InChIKey: RUJHATQMIMUYKD-UHFFFAOYSA-N
분자식: C12H13N
평균 분자량: 171.24 g/mol
단동위원소 질량: 171.10479942

이름 및 식별자

우선 이름: 1-Naphthaleneethanamine
IUPAC: 2-naphthalen-1-ylethanamine
현지명: 1-나프탈렌에탄광산HCl
영어명: 1-NaphthaleneethanaMine HCl
분자식: C12H13N
분자량: 171.24

이름 및 동의어

4735-50-61-Naphthaleneethanamine1-NAPHTHALENEETHYLAMINE2-(1-Naphthyl)ethylamine1-(2-Aminoethyl)naphthaleneBRN 11010131-Naphthaleneethanamine (9CI)DTXSID901971154-12-00-03213 (Beilstein Handbook Reference)RefChem:76467DTXCID00119606RUJHATQMIMUYKD-UHFFFAOYSA-N

이름 더 보기

1-나프탈렌에탄광산HCl3-(naphthalen-1-yl)propan-1-amine hydrochloride

2-(naphthalen-1-yl)ethanamine2-(1-naphthyl)ethanamine2-(Naphthalen-1-Yl)Ethan-1-Amine2-naphthalen-1-ylethanaminenaphthylethylamine1-Naphthaleneethanamine HClMFCD015298662-(1-naphthyl)ethanamine hydrochloride

데이터베이스 식별자

CAS: 4735-50-6
PubChem CID: 20853
DTXSID: DTXSID90197115
EC Number: 870-773-4
Nikkaji: J58.157G

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 155

물리화학적 성질

녹는점: 212 · 212-213 °C (decomp)
끓는 점: 170 · 170-173 °C(Press: 16 Torr)
밀도: 1.069 · 1.069±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 9.78 · 9.78±0.10(Predicted)
InChI: InChI=1S/C12H13N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,13H2
InChIKey: RUJHATQMIMUYKD-UHFFFAOYSA-N
SMILES: C1(CCN)=C2C(C=CC=C2)=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, 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, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.