메틸-(나프탈렌-2-일메틸)아자늄

Methyl[(naphthalen-2-yl)methyl]amine

HCID 541935CAS 76532-33-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CNCc1ccc2ccccc2c1
InChIKey: SSNISTUBYRMYDY-UHFFFAOYSA-N
분자식: C12H13N
평균 분자량: 171.24 g/mol
단동위원소 질량: 171.10479942

이름 및 식별자

우선 이름: Methyl[(naphthalen-2-yl)methyl]amine
IUPAC: N-methyl-1-naphthalen-2-ylmethanamine
현지명: 메틸-(나프탈렌-2-일메틸)아자늄
영어명: methyl-(naphthalen-2-ylmethyl)azanium
분자식: C12H13N
분자량: 171.24

이름 및 동의어

methyl[(naphthalen-2-yl)methyl]aminemethyl((naphthalen-2-yl)methyl)amineRefChem:818281879-214-976532-33-7N-methyl-1-(naphthalen-2-yl)methanamineN-methyl-N-(2-naphthylmethyl)amineN-Methyl-2-naphthalenemethanamineMethyl(naphthalen-2-ylmethyl)amineN-methyl-1-naphthalen-2-ylmethanaminemethyl-(naphthalen-2-ylmethyl)azaniumMFCD06366264

이름 더 보기

메틸-(나프탈렌-2-일메틸)아자늄N-methyl-1-(naphthalen-2-yl)Terbinafine Related Compound 2Methyl-2-naphthaleneMethylaMineN-Methyl(2-naphthyl)methanamineN-Methyl(naphthalen-2-yl)MethanaMine

N-Methylnaphthalene-2-methanamineTerbinafine Impurity 13DTXSID50337338N-Methyl-2-naphthalenemethylamineHMS1716J09methyl-naphthalen-2-ylmethyl-amineN-Methyl(2-naphthyl)methanamine #2-Naphthalenemethanamine, N-methyl-

데이터베이스 식별자

CAS: 76532-33-7
PubChem CID: 541935
DTXSID: DTXSID50337338
UNII: 6CL5BBW9ED
EC Number: 879-214-9
Nikkaji: J722.239D

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 12 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: 232 · 232-233 °C
끓는 점: 90 °C · 90 °C(Press: 0.02 Torr)
밀도: 1.036 · 1.036±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 9.5 · 9.50±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도An intermediate in the preparation of detoxification inhibitors of the crucifer phytoalexin Brassinin, as potential fungicides against Leptosphaeria maculans.