2,3-디메톡시벤질아민

2,3-Dimethoxybenzylamine

HCID 78106CAS 4393-09-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccc(CN)c1OC
InChIKey: LVMPWFJVYMXSNY-UHFFFAOYSA-N
분자식: C9H13NO2
평균 분자량: 167.2 g/mol
단동위원소 질량: 167.09462866

이름 및 식별자

우선 이름: 2,3-Dimethoxybenzylamine
IUPAC: (2,3-dimethoxyphenyl)methanamine
현지명: 2,3-디메톡시벤질아민
영어명: 2,3-Dimethoxybenzylamine
분자식: C9H13NO2
분자량: 167.21

이름 및 동의어

2,3-Dimethoxybenzylamine4393-09-3EINECS 224-515-7DTXSID90195994RefChem:442448DTXCID30118485224-515-7(2,3-Dimethoxyphenyl)methanamine1-(2,3-dimethoxyphenyl)methanamineo-VeratrylamineBenzenemethanamine, 2,3-dimethoxy-MFCD00052392

이름 더 보기

2,3-디메톡시벤질아민4393/9/3RARECHEM AL BW 01512,3-Dimethoxybenzyla2,3-Dimethoxybenzylamine>2,3-Dimethoxybenzylamine 99%2,3-Dimethoxybenzylamine ,99%(2,3-Dimethoxyphenyl)methylamine

Benzylamine, 2,3-dimethoxy-[(2,3-Dimethoxyphenyl)methyl]amine2,3-dimethoxy benzylamine(2,3-dimethoxybenzyl)amineEN300-35059Z2348952192,3-DimethoxybenzenemethanamineYC8UH2CND7

데이터베이스 식별자

CAS: 4393-09-3
PubChem CID: 78106
DTXSID: DTXSID90195994
ChEMBL: CHEMBL555371
UNII: YC8UH2CND7
EC Number: 224-515-7
Nikkaji: J205.773E

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 130

물리화학적 성질

녹는점: 229 · 229-230 °C(Solv: N,N-dimethylformamide (68-12-2))
끓는 점: 137 °C/11 · 137 °C/11 mmHg (lit.)
밀도: 1.13 g/mL · 1.13 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.54(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 9.12 · 9.12±0.10(Predicted)
물리적 상태: 액체
색상: 무색~담황색 투명
NIST: 2 · Benzenemethanamine, 2,3-dimethoxy-(4393-09-3)

화학적 성질

Colorless to light yellowliqui

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (95.3%)；Eye Irrit. 2 (95.3%)；STOT SE 3 (95.3%)

안전 데이터

wgk: 3
ridadr: 2735
HS 번호: 29222900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
포장분류: III
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도2,3-Dimethoxybenzylamine was used in the synthesis of di-,tri- and tetrapeptide linked dicatechol derivatives and 1-aryl-2,3-dihydro-1H-isoindoles (isoindolines).