Piperidin-3-ylmethanol (HCID 107308)

이름 및 식별자

우선 이름: Piperidin-3-ylmethanol
IUPAC: piperidin-3-ylmethanol
현지명: 3-피페리딘메탄올
영어명: 3-Piperidinemethanol
분자식: C6H13NO
분자량: 115.17

이름 및 동의어

3-Piperidinemethanol4606-65-9Piperidin-3-ylmethanolEINECS 225-013-0VUNPWIPIOOMCPT-UHFFFAOYSA-DTXSID60871091RefChem:863486DTXCID00818763225-013-0InChI=1/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H23-(Hydroxymethyl)piperidine3-Hydroxymethylpiperidine

이름 더 보기

3-피페리딘메탄올1-ethoxycarbonylRARECHEM AM LA 00733-piperidine Methano3-Piperidinecarbinol3-Piperidinyl carbinol3- piperidinyl alcohol(3-PIPERIDINYL)METHANOL

Piperidin-3-Yl-Methanol(piperidin-3-yl)methanol3-piperidylmethanolpiperidine-3-methanol3-Piperidine MethanolMFCD000059973-Piperidinylmethanol3-piperdinemethanol

데이터베이스 식별자

CAS: 4606-65-9
PubChem CID: 107308
DTXSID: DTXSID60871091
EC Number: 225-013-0
Nikkaji: J236.355K

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 65.5

물리화학적 성질

녹는점: 106 · 106-107°C
끓는 점: 106 · 106-107 °C3.5 mm Hg(lit.)
밀도: 1.026 g/mL · 1.026 g/mL at 25 °C(lit.)
굴절률: 1.494 · 1.4940
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름 (약간 용해됨), DMSO(약간 용해됨,초음파 처리), 메탄올 (약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 14.93 · 14.93±0.10(Predicted)
색상: 투명한
BRN: 103058 · 103058
InChI: InChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2
InChIKey: VUNPWIPIOOMCPT-UHFFFAOYSA-N
SMILES: N1CCCC(CO)C1
NIST: 3 · 3-Piperidinemethanol(4606-65-9)

화학적 성질

White solid

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 47 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information3-Piperidinemethanol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

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

안전 데이터

wgk: 2
ridadr: UN 3263 8/PG 2
HS 번호: 29333990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도3-Piperidinemethanol can be used as reactants for synthesis of: CB2 receptor agonists for the treatment of chronic pain Spiroimidazolidinone NPC1L1 inhibitors Quorum sensing modulators Protein lysine methyltransferase G9a inhibitors P2Y12 antagonists for inhibition of platelet aggregation Soluble epoxide hydrolase inhibitors

일반 설명The standard molar energy of combustion of 3-Piperidinemethanol has been studied.