베라트릴아민

베라트릴아민 · (3,4-Dimethoxyphenyl)methanamine · 3,4-DIMETHOXYBENZYLAMINE · VTA · TOBO-005 · AKOS 237-129 · VERATRYLAMINE · AKOS BBS-00006456

식별자 및 물리적 특성

CAS No.	5763-61-1
분자식	C9H13NO2
평균 분자량	167.2 g/mol
단동위원소 질량	167.09462866 g/mol
SMILES	COc1ccc(CN)cc1OC
InChIKey	DIVNUTGTTIRPQA-UHFFFAOYSA-N
PubChem CID	79832
EC No.	227-287-7
DTXSID	DTXSID50206292
현지명	베라트릴아민

XLogP	0.4
극성 표면적	44.5
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	12
형식 전하	0
복잡도	130
녹는점	262-263 °C(Solv: N,N-dimethylformamide (68-12-2))
끓는 점	281-284 °C (lit.)
밀도	1.109 g/mL at 25 °C (lit.)
굴절률	n20/D 1.556(lit.)
인화점	>230 °F
저장 조건	Keep in dark place,Inert atmosphere,2-8°C
용해도	클로로포름, 메탄올에 용해됨
pKa(산도 계수)	9.28±0.10(Predicted)
물리적 상태	액체
비중	1.109
색상	맑은 연한 노란색
BRN	511575
InChI	1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3
InChIKey	DIVNUTGTTIRPQA-UHFFFAOYSA-N
SMILES	COc1ccc(CN)cc1OC
NIST	Veratrylamine(5763-61-1)

Colorless to light yellow liqui

GHS 분류	DangerH302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]P260, P261, P264, P264+P265, P270, P271, 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 8 reports by companies from 4 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.
Hazard Classes and Categories	Acute Tox. 4 (12.5%)Skin Corr. 1B (100%)Eye Dam. 1 (12.5%)
수질 위해 등급(WGK)	3
RTECS 번호	YX7355000
운송 번호(UN)	2735
관세 코드	29222990
위험 문구(R)	37-34
위험 표시	Xi,C
안전 문구(S)	26-36/37/39-45
포장분류	III
위험 등급	8
위험 참고 사항	Irritant
저장 분류	10 - Combustible liquids

3,4-Dimethoxybenzylamine (cas# 5763-61-1) is a compound useful in organic synthesis.