m-(Dimethylamino)benzyl alcohol

HCID 90133CAS 23501-93-1

기본 정보

표준 SMILES: CN(C)c1cccc(CO)c1
InChIKey: YTUXZVSDDHCTBZ-UHFFFAOYSA-N
분자식: C9H13NO
평균 분자량: 151.21 g/mol
단동위원소 질량: 151.09971404

이름 및 식별자

우선 이름: m-(Dimethylamino)benzyl alcohol
IUPAC: [3-(dimethylamino)phenyl]methanol
영어명: 3-DIMETHYLAMINOBENZYL ALCOHOL
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

23501-93-1m-(Dimethylamino)benzyl alcoholEINECS 245-700-9DTXSID70178068RefChem:800329DTXCID00100559245-700-9[3-(Dimethylamino)phenyl]methanol3-Dimethylaminobenzyl alcohol(3-(Dimethylamino)phenyl)methanol3-(Dimethylamino)benzyl alcoholBenzenemethanol, 3-(dimethylamino)-

이름 더 보기

BUTTPARK 33\04-243-(dimethylamino)benzylols3-Dimethylamino-benzyl alcohol3-(Dimethylamino)benzylalcohol97%3-(DIMETHYLAMINO)-BENZENEMETHANOLBenzeneMethanol,3-(diMethylaMino)-3-(Dimethylamino)benzyl alcohol 97%

MFCD000173423-(Dimethylaminobenzyl)alcohol[3-(dimethylamino)phenyl]methan-1-olm-dimethylaminobenzyl alcoholBenzyl alcohol, m-(dimethylamino)-3-DimethylaminobenzylalcoholDZ838DW2GMSCHEMBL27332

데이터베이스 식별자

CAS: 23501-93-1
PubChem CID: 90133
DTXSID: DTXSID70178068
UNII: DZ838DW2GM
EC Number: 245-700-9
Nikkaji: J133.618E

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 114

물리화학적 성질

끓는 점: 282 · 282-283 °C (lit.)
밀도: 1.056 g/mL · 1.056 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.577(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C, protect from light
물리적 상태: 액체
산도 계수 (pKa): 14.49 · 14.49±0.10(Predicted)
색상: 무색~황색으로 투명함
InChI: 1S/C9H13NO/c1-10(2)9-5-3-4-8(6-9)7-11/h3-6,11H,7H2,1-2H3
InChIKey: YTUXZVSDDHCTBZ-UHFFFAOYSA-N
SMILES: CN(C)c1cccc(CO)c1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.