N-벤질-3-피롤리디놀

N-벤질-3-피롤리디놀 · idin-3-oL · N-benzyl-3-pyrrolitol · N-BENZYL-3-PYRROLIDINOL · 1-BENZYL-3-PYRROLIDINOL · 1-BENZYLPYRROLIDINE-3-OL · 1-(benzyl)pyrrolidin-3-ol · 1-Benzyl-3-pyrrolidinol >1-Benzyl-3-hydroxypyrrolidin

https://huagongshe.com/ko/chemical/69889

식별자 및 물리적 특성

CAS No.	775-15-5
분자식	C11H15NO
평균 분자량	177.24 g/mol
단동위원소 질량	177.1153641 g/mol
SMILES	OC1CCN(Cc2ccccc2)C1
InChIKey	YQMXOIAIYXXXEE-UHFFFAOYSA-N
PubChem CID	69889
EC No.	212-273-5
DTXSID	DTXSID70998682
현지명	N-벤질-3-피롤리디놀

화학 및 물리적 성질

XLogP	1.3
극성 표면적	23.5
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	13
형식 전하	0
복잡도	154
끓는 점	113-115 °C2 mm Hg(lit.)
밀도	1.07 g/mL at 25 °C(lit.)
굴절률	n20/D 1.548(lit.)
인화점	>230 °F
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
pKa(산도 계수)	14.82±0.20(Predicted)
물리적 상태	투명한 액체
색상	Colorless to Light yellow to Light orange
BRN	6039
InChI	InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKey	YQMXOIAIYXXXEE-UHFFFAOYSA-N
SMILES	N1(CC2=CC=CC=C2)CCC(O)C1

안전 및 규제

GHS 분류	DangerH301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (95.2%)
수질 위해 등급(WGK)	1
운송 번호(UN)	UN 2810 6.1/PG 3
관세 코드	29339900
위험 문구(R)	25-36/37/38
위험 표시	T,Xi
안전 문구(S)	26-36
위험 등급	6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
F 고인화성물질	10-34
저장 분류	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

용도

1-Benzyl-3-pyrrolidinol was used in preparation of:potent calcium antagonist, 1-benzyl-3-pyrrolidinyl methyl 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate(3R)-1-benzyl-3-methanesulfonyloxy pyrrolidine