메톡시벤질아민

2-Methoxybenzylamine

HCID 81292CAS 6850-57-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccccc1CN
InChIKey: PXJACNDVRNAFHD-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: 2-Methoxybenzylamine
IUPAC: (2-methoxyphenyl)methanamine
현지명: 메톡시벤질아민
영어명: 2-Methoxybenzylamine
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

2-Methoxybenzylamine6850-57-3(2-Methoxyphenyl)methanamineo-MethoxybenzylamineBenzenemethanamine, 2-methoxy-2-(Aminomethyl)anisole2-methoxybenzenemethanamine2JK6T542T8EINECS 229-941-7(O-ANISYLMETHYL)AMINE2-METHOXYPHENYLMETHYLAMINEO-METHOXYBENZENEMETHANAMINE

이름 더 보기

메톡시벤질아민2-메톡시벤질아민O-ANISYLAMINEAKOS BBS-00003620RARECHEM AL BW 01502-AMINOMETHYL-ANISOLEMethoxybenzylamine,96%2-METHOXYBENZOHYDRAZIDE

DTXSID60218629RefChem:87900DTXCID60141120229-941-7InChI=1/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1HPXJACNDVRNAFHD-UHFFFAOYSA-N1-(2-methoxyphenyl)methanamineMFCD00008110

데이터베이스 식별자

CAS: 6850-57-3
PubChem CID: 81292
DTXSID: DTXSID60218629
UNII: 2JK6T542T8
EC Number: 229-941-7
Nikkaji: J149.911D

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95.3

물리화학적 성질

녹는점: 60 °C · 60 °C
끓는 점: 227 °C724 · 227 °C724 mm Hg(lit.)
밀도: 1.051 g/mL · 1.051 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.548(lit.)
인화점: 212 °F · 212 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
산도 계수 (pKa): 9.15 · 9.15±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.061 · 1.061.051
색상: 무색투명~미황색
수소이온지수(pH): 7 · >7 (H2O)
수용성: 약간 용해됨
BRN: 1100448 · 1100448
InChI: 1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3
InChIKey: PXJACNDVRNAFHD-UHFFFAOYSA-N
SMILES: COc1ccccc1CN
NIST: 2 · 2-Methoxybenzylamine(6850-57-3)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information2-Methoxybenzylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1A (100%)

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 2
HS 번호: 29221980
risk_code: 34-37
hazard_code: C,Xi
safety_code: 26-36/37/39-45-27
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도2-Methoxybenzylamine is a 2-methoxy derivative of benzylamine. 2-Methoxybenzylamine is one the the metabolites detected in urine after metabolism of dopamine analogues. 2-Methoxybenzylamine is used in the preparation of GABAA receptor ligands as analgesic agents.