1,2,2,6,6-펜타메틸-4-피페리디놀

4-Piperidinol, 1,2,2,6,6-pentamethyl-

HCID 75472CAS 2403-89-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1C(C)(C)CC(O)CC1(C)C
InChIKey: NWHNXXMYEICZAT-UHFFFAOYSA-N
분자식: C10H21NO
평균 분자량: 171.28 g/mol
단동위원소 질량: 171.16231429

이름 및 식별자

우선 이름: 4-Piperidinol, 1,2,2,6,6-pentamethyl-
IUPAC: 1,2,2,6,6-pentamethylpiperidin-4-ol
현지명: 1,2,2,6,6-펜타메틸-4-피페리디놀
영어명: 1,2,2,6,6-Pentamethyl-4-piperidinol
분자식: C10H21NO
분자량: 171.28

이름 및 동의어

1,2,2,6,6-Pentamethylpiperidin-4-ol2403-89-61,2,2,6,6-Pentamethyl-4-piperidinol4-Piperidinol, 1,2,2,6,6-pentamethyl-DTXSID30444111,2,2,6,6-Pentamethyl-4-hydroxypiperidineLR520BAM5VNSC 364075EINECS 219-292-8NSC-364075DTXCID1024411EC 219-292-8

이름 더 보기

1,2,2,6,6-펜타메틸-4-피페리디놀PentamethylpiperidinolHOPEMPMETHYL-TAA-OLPentamethylpyridinol1,2,2,6,6-Pentamethy5-MethylpiperidineAlcohol1,2,2,6,6-Pentamethyl-4-piperiN-Methyltriacetoneaminoalcohol

RefChem:526533219-292-84-Hydroxy-1,2,2,6,6-pentamethylpiperidineMFCD00191220STK6885891,2,2,6,6-penta-methylpiperidin-4-ol1,2,2,6,6-pentamethyl-piperidin-4-olSY052631

데이터베이스 식별자

CAS: 2403-89-6
PubChem CID: 75472
DTXSID: DTXSID3044411
ChEMBL: CHEMBL3186101
UNII: LR520BAM5V
EC Number: 219-292-8
Nikkaji: J31.360B

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 157

실험 및 물리화학적 성질

Collision Cross Section136.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3044411]

물리화학적 성질

녹는점: 72 · 72-76 °C
끓는 점: 238 °C · 238 °C
밀도: 0.967 · 0.967
증기압: 0.845 Pa · 0.845Pa at 25℃
굴절률: 1.4621 · 1.4621 (estimate)
인화점: 118 °C · 118 °C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 플레이크
산도 계수 (pKa): 14.93 · 14.93±0.60(Predicted)
색상: 연노랑
수용성: 4.8 g/100mL · 4.8g/100mL(20℃)
BRN: 1498 · 1498
InChI: 1S/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3
InChIKey: NWHNXXMYEICZAT-UHFFFAOYSA-N
SMILES: CN1C(C)(C)CC(O)CC1(C)C
LogP: 1.15 at · 1.15 at 25℃
EPA: 4 · 4-Piperidinol, 1,2,2,6,6-pentamethyl- (2403-89-6)

화학적 성질

LIGHT YELLOW FLAKES

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 4.5% (12 of 269) of reports.

Danger

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 269 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 03-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12392

4-Piperidinol, 1,2,2,6,6-pentamethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (95.2%)

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: UN3261 - class 8 - PG 1 - EHS - Corrosive solid, acidic, organic, n.o.s., HI: all
HS 번호: 29333990
risk_code: 43-34-22-51/53
hazard_code: Xi,C,N,Xn
safety_code: 36/37-45-36/37/39-26-61
기존화학 물질: KE-27965
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Skin Corr. 1ASkin Sens. 1
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing Information4-Piperidinol, 1,2,2,6,6-pentamethyl-: ACTIVE

응용 분야

용도1,2,2,6,6-Pentamethyl-4-piperidinol is used in the synthesis of PDGFR kinase inhibitors. Also, it can be applied to the preparation of a new diol-functionalized amine light stabilizer.