4-아미노메틸린돌

4-아미노메틸린돌 · NSC 131886 · CHEMBRDG-BB 4003293 · 4-Aminomethylindole · INDOLE-4-METHYLAMINE · 1H-INDOLE-4-METHANAMINE · 1H-Indol-4-ylmethanamine · (1H-Indol-4-ymetyl)amine

https://huagongshe.com/ko/chemical/280302

식별자 및 물리적 특성

CAS No.	3468-18-6
분자식	C9H10N2
평균 분자량	146.19 g/mol
단동위원소 질량	146.08439833 g/mol
SMILES	NCc1cccc2[nH]ccc12
InChIKey	FFBWKPKOXRMLNP-UHFFFAOYSA-N
PubChem CID	280302
ChEBI	CHEBI:187682
EC No.	663-726-2
DTXSID	DTXSID00299654
현지명	4-아미노메틸린돌

화학 및 물리적 성질

XLogP	0.9
극성 표면적	41.8
수소 결합 공여자 수	2
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	136
녹는점	132℃
끓는 점	335.6±17.0 °C(Predicted)
밀도	1.199
저장 조건	under inert gas (nitrogen or Argon) at 2–8 °C
용해도	에탄올, 디메틸 설폭시드 및 디메틸 포름아미드에 용해됩니다.
pKa(산도 계수)	17.21±0.30(Predicted)
물리적 상태	결정성 고체
InChI	1S/C9H10N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6,10H2
InChIKey	FFBWKPKOXRMLNP-UHFFFAOYSA-N
SMILES	NCc1cccc2[nH]ccc12

안전 및 규제

GHS 분류	DangerH302 (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 exposureRespiratory 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 41 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 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%)
수질 위해 등급(WGK)	WGK 3
관세 코드	2933998090
위험 문구(R)	36/37/38-41-37/38-22
위험 표시	Xi,Xn
안전 문구(S)	26-36/37/39
위험 등급	IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

개요

4-Aminomethylindole is a synthetic intermediate useful for pharmaceutical synthesis.

용도

Reactant for preparation of dopamine receptor antagonists 1 Reactant for preparation of high-affinity ligands to α2δ subunit of voltage-gated calcium channels 2