3-(2-피리딜메틸아미노)-1-프로판올

Nsc65650

HCID 248485

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6950-99-8
표준 SMILES: OCCCNCc1ccccn1
InChIKey: UTTDICFUEAFWJV-UHFFFAOYSA-N
분자식: C9H14N2O
평균 분자량: 166.22 g/mol
단동위원소 질량: 166.11061307

이름 및 식별자

우선 이름: Nsc65650
IUPAC: 3-(pyridin-2-ylmethylamino)propan-1-ol
현지명: 3-(2-피리딜메틸아미노)-1-프로판올
영어명: 3-(2-Pyridylmethylamino)-1-propanol
분자식: C9H14N2O
분자량: 166.22

이름 및 동의어

6950-99-8NSC65650DTXSID202899313-(2-pyridylmethylamino)-1-propanolRefChem:854926DTXCID00241077636-212-03-((2-pyridinylmethyl)amino)-1-propanol3-((Pyridin-2-ylmethyl)amino)propan-1-ol3-(pyridin-2-ylmethylamino)propan-1-ol3-[(PYRIDIN-2-YLMETHYL)AMINO]PROPAN-1-OL3-[(2-pyridinylmethyl)amino]-1-propanol

이름 더 보기

3-(2-피리딜메틸아미노)-1-프로판올UKRORGSYN-BB BBV-1752811-Propanol, 3-[(2-pyridinylmethyl)amino]-

3-{[(pyridin-2-yl)methyl]amino}propan-1-olMFCD00023515NSC-65650hydroxypropylpicolylamineNCIStruc1_000135NCIStruc2_000139SCHEMBL1037051CHEMBL1741581

데이터베이스 식별자

CAS: 6950-99-8
PubChem CID: 248485
DTXSID: DTXSID20289931
ChEMBL: CHEMBL1741581
EC Number: 636-212-0

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 45.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 109

물리화학적 성질

끓는 점: 301.3 · 301.3±27.0 °C(Predicted)
밀도: 1.073 · 1.073±0.06 g/cm3(Predicted)
저장 조건: 0 · Store at 0-8 °C
산도 계수 (pKa): 15 · 15.00±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.