기본 정보
- 표준 SMILES
NCc1ccc(CO)cc1- InChIKey
WMOUKOAUAFESMR-UHFFFAOYSA-N- 분자식
- C8H11NO
- 평균 분자량
- 137.18 g/mol
- 단동위원소 질량
- 137.08406397
이름 및 식별자
- 우선 이름
- [4-(Aminomethyl)phenyl]methanol
- IUPAC
- [4-(aminomethyl)phenyl]methanol
- 현지명
- (4-아미노메틸-페닐)-메탄올
- 영어명
- (4-AMINOMETHYL-PHENYL)-METHANOL
- 분자식
- C8H11NO
- 분자량
- 137.18
이름 및 동의어
39895-56-2(4-(Aminomethyl)phenyl)methanol[4-(aminomethyl)phenyl]methanolDTXSID30424654RefChem:208502DTXCID60375488810-786-4(4-Aminomethyl-phenyl)-methanol4-Aminomethylbenzyl alcohol4-(Aminomethyl)benzyl alcoholMFCD062137664-aminomethylbenzylalcohol
이름 더 보기
(4-아미노메틸-페닐)-메탄올CDS-5020RARECHEM AL BW 2299ASINEX-REAG BAS 136548434-(Amimethyl)benzenemethal4-(AMinoMethyl)benzeneMethanol4-(Aminomethyl)benzylalcohol97%
(4-Aminomethylphenyl)methanolBENZENEMETHANOL, 4-(AMINOMETHYL)-4-Hydroxymethylbenzylamine4-HydroxyMethylbenzyl aMine4-(Aminomethyl)benzenemethanol; (4-Aminomethylphenyl)methanol; 4-Hydroxymethylbenzylamine; p-(Hydroxymethyl)benzylamine;p-(Hydroxymethyl)benzylamine4-(aminomethyl)benzylalcoholSCHEMBL216928
데이터베이스 식별자
- CAS
39895-56-2- PubChem CID
- 6496943
- DTXSID
DTXSID30424654- ChEMBL
CHEMBL1230249- EC Number
- 810-786-4
- Nikkaji
- J1.371.649H
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 46.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 87.3
물리화학적 성질
- 녹는점
- 80 · 80-82°C
- 끓는 점
- 280 · 280.0±20.0 °C(Predicted)
- 밀도
- 1.113 · 1.113±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 용해도
- DMSO및메탄올에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 14.44 · 14.44±0.10(Predicted)
- 색상
- 회백색
- InChI
- InChI=1S/C8H11NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6,9H2
- InChIKey
- WMOUKOAUAFESMR-UHFFFAOYSA-N
- SMILES
- C1(CO)=CC=C(CN)C=C1
화학적 성질
Off-White Solid
안전 및 규제
GHS 분류
GHS Classification
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+P354+P338, P316, P317, P321, P330, P362+P364, P363, 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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2922190090
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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