3-피리딘메탄올

3-피리딘메탄올 · 니코티닐알코올 · PYRIDIN-3-YLMETHANOL · NICOTINYL ALCOHOL · 3-(HYDROXYMETHYL)PYRIDINE · 3-PYRIDYLCARBINOL · 3-PYRIDYLMETHANOL · NICOTINIC ALCOHOL

식별자 및 물리적 특성

CAS No.	100-55-0
분자식	C6H7NO
평균 분자량	109.13 g/mol
단동위원소 질량	109.05276384 g/mol
SMILES	OCc1cccnc1
InChIKey	MVQVNTPHUGQQHK-UHFFFAOYSA-N
PubChem CID	7510
ChEMBL	CHEMBL1235535
ChEBI	CHEBI:45213
EC No.	202-864-6
DTXSID	DTXSID6023367
현지명	3-피리딘메탄올

XLogP	0
극성 표면적	33.1
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	8
형식 전하	0
복잡도	65.5
물질 분류	Nitrogen Compounds -> Pyridines
의약품	Pharmaceuticals -> Listed in ZINC15
화장품	Tonic
SpringerMaterials Properties	Chemical shift
증기압	0.02 [mmHg]0.342Pa at 20℃
Physical Description	Highly hygroscopic liquid[Merck Index] Clear light yellow to yellow hygroscopic liquid[Acros Organics MSDS]
Collision Cross Section	119.2 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID6023367]
녹는점	-7 °C
끓는 점	154 °C/28 mmHg (lit.)
밀도	1.124 g/mL at 25 °C (lit.)
굴절률	n20/D 1.545(lit.)
인화점	>230 °F
저장 조건	Inert atmosphere,Room Temperature
용해도	1000mg/l
pKa(산도 계수)	13.68±0.10(Predicted)
물리적 상태	액체 (투명)
색상	맑은 연한 노란색
pH	7-8 (100g/l, H2O, 20℃)
용해도	녹는
Merck	14,6527
BRN	107851
화장품 원료 기능	토닉
InChI	1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
InChIKey	MVQVNTPHUGQQHK-UHFFFAOYSA-N
SMILES	OCc1cccnc1
LogP(분배 계수)	-0.11 at 25℃
표면장력	47.68 mN/m at 23°
NIST	Nicotinyl Alcohol(100-55-0)
EPA	3-Pyridinemethanol (100-55-0)

CLEAR LIGHT YELLOW TO YELLOW LIQUID

GHS 분류	WarningH315 (91.7%): 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 60 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 07-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/222233-Pyridylmethanol: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	No fetal toxicity observed in mice orally administered up to 1,000 mg/kg during organogenesis[Shepard's Catalog of Teratogenic Agents] Intravenous LD50 (mouse) = 1,000 mg/kg[RTECS] An irritantHarmful by ingestion[Acros Organics MSDS]
Hazard Classes and Categories	Skin Irrit. 2 (91.7%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	UT4690000
관세 코드	29333999
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36-24/25
기존화학 물질	KE-29943
F 고인화성물질	3-10-23
위험 참고 사항	Irritant
위험 등급	Eye Irrit. 2
저장 분류	10 - Combustible liquids

3-Pyridinemethanol can be used as antineoplastic and used in the synthesis of histone deacetylase inhibitors.

3-Pyridinemethanol, an aromatic primary alcohol, is the key moiety of many bio-active and industrially important compounds.