부틸벤질아민

부틸벤질아민 · N-(tert-뷰틸)벤질아민 · N-(tert-부틸)벤질아민 · N-Benzyl-2-Methylpropan-2-aMine · AI3-23247 · AKOS BC-1243 · N-t-Butylbenzylamine · N-Benzylisobutylamine

https://huagongshe.com/ko/chemical/76908

식별자 및 물리적 특성

CAS No.	3378-72-1
분자식	C11H17N
평균 분자량	163.26 g/mol
단동위원소 질량	163.13609954 g/mol
SMILES	CC(C)(C)NCc1ccccc1
InChIKey	DLSOILHAKCBARI-UHFFFAOYSA-N
PubChem CID	76908
ChEMBL	CHEMBL5430961
EC No.	222-179-6
DTXSID	DTXSID2063002
현지명	부틸벤질아민

화학 및 물리적 성질

XLogP	2.5
극성 표면적	12
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	3
무거운 원자 수	12
형식 전하	0
복잡도	117
SpringerMaterials Properties	Optical coefficient
녹는점	-25 °C
끓는 점	80 °C5 mm Hg(lit.)
밀도	0.881 g/mL at 25 °C(lit.)
증기압	12.1Pa at 25℃
굴절률	n20/D 1.497(lit.)
인화점	176 °F
저장 조건	Store below +30°C.
용해도	2g/L
pKa(산도 계수)	9.77±0.29(Predicted)
물리적 상태	기름
색상	무색
용해도	2g/L(20℃)
BRN	507464
유전율	3.2400000000000002
InChI	1S/C11H17N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3/p+1
InChIKey	DLSOILHAKCBARI-UHFFFAOYSA-N
SMILES	[N+H2](C(C)(C)C)Cc1ccccc1
LogP(분배 계수)	2.9 at 25℃
NIST	Benzenemethanamine, N-(1,1-dimethylethyl)-(3378-72-1)
EPA	Benzenemethanamine, N-(1,1-dimethylethyl)- (3378-72-1)

화학적 성질

CLEAR COLOURLESS TO PALE YELLOW LIQUID

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 4% (1 of 25) of reports.DangerH226 (16%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 25 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 11-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22706Benzenemethanamine, N-(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Flam. Liq. 3 (16%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	2735
관세 코드	29214980
위험 문구(R)	34-22-36/37/38
위험 표시	C,Xi
안전 문구(S)	23-24/25-36-26-45-36/37/39
포장분류	III
위험 등급	8Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
저장 분류	8A - Combustible, corrosive hazardous materials

용도

N-Benzyl-tert-butylamine, is used as a protected amine. It aids in the oxidation to the corresponding hydroxylamine and nitrone.