(R)-(+)-알파-메틸벤질아민

(1R)-1-페닐에탄아민 · (R)-(+)-알파-메틸벤질아민 · (R)-(+)-알파-메틸벤질아민((R)-(+)-ALPHA-METHYLBENZYLAMINE) · (R)-1-phenylethan-1-amine · (R)-1-PHENYLETHYLAMINE · R-(+)-ALPHA-PHENYLETHYLAMINE · (1R)-1-PHENYLETHANAMINE · (R)-1-phenethylamine

https://huagongshe.com/ko/chemical/643189

식별자 및 물리적 특성

CAS No.	3886-69-9
분자식	C8H11N
평균 분자량	121.18 g/mol
단동위원소 질량	121.08914935 g/mol
SMILES	C[C@@H](N)c1ccccc1
InChIKey	RQEUFEKYXDPUSK-SSDOTTSWSA-N
PubChem CID	643189
ChEMBL	CHEMBL19969
ChEBI	CHEBI:35322
EC No.	223-423-4
DTXSID	DTXSID80930735
현지명	(R)-(+)-알파-메틸벤질아민

화학 및 물리적 성질

XLogP	1.2
극성 표면적	26
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	9
형식 전하	0
복잡도	74.6
물질 분류	Nitrogen Compounds -> Amines, Aromatic
SpringerMaterials Properties	Boiling point
Physical Description	Colorless to light yellow liquid[Alfa Aesar MSDS]
녹는점	-10 °C
끓는 점	187-189 °C(lit.)
밀도	0.952 g/mL at 20 °C(lit.)
증기압	0.5 mm Hg ( 20 °C)
굴절률	n20/D 1.526(lit.)
인화점	175 °F
저장 조건	2-8°C
용해도	40g/L
물리적 상태	액체
pKa(산도 계수)	9.04±0.10(Predicted)
색상	무색의
pH	>7 (40g/l, H2O, 20℃)
용해도	40g/L(20℃)
Merck	14,6026
BRN	2410916
InChI	1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
InChIKey	RQEUFEKYXDPUSK-SSDOTTSWSA-N
SMILES	C[C@@H](N)c1ccccc1
LogP(분배 계수)	1.31-1.49 at 25℃
NIST	Benzenemethanamine, «alpha»-methyl-, (R)-(3886-69-9)
EPA	Benzenemethanamine, .alpha.-methyl-, (.alpha.R)- (3886-69-9)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류	DangerH302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 172 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Benzenemethanamine, .alpha.-methyl-, (R)-Status: Active Update: 19-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20127(R)-(+)-1-Phenylethylamine: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	Causes burnsHarmful by ingestion and skin absorption[Alfa Aesar MSDS]
Hazard Classes and Categories	Acute Tox. 4 (98.8%)
유해 작용	Dermatotoxin - Skin burns.
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 2735 8/PG 2
관세 코드	29214980
위험 문구(R)	21/22-34
위험 표시	C
안전 문구(S)	26-28-36/37/39-45-28A-27
포장분류	III
위험 등급	8Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
기존화학 물질	KE-05-0860
F 고인화성물질	3-10-23-34
자연 발화 온도	355 °C DIN 51794
저장 분류	8A - Combustible corrosive hazardous materials

용도

(R)-(+)-1-Phenylethylamine is a chiral amine used for the determination of the enantiomeric purity of acids.

일반 설명

(R)-(+)-α-Methylbenzylamine is a chiral amine.