4-아미노메틸린돌

(1H-indol-4-yl)methanamine

HCID 280302CAS 3468-18-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCc1cccc2[nH]ccc12
InChIKey: FFBWKPKOXRMLNP-UHFFFAOYSA-N
분자식: C9H10N2
평균 분자량: 146.19 g/mol
단동위원소 질량: 146.08439833

이름 및 식별자

우선 이름: (1H-indol-4-yl)methanamine
IUPAC: 1H-indol-4-ylmethanamine
현지명: 4-아미노메틸린돌
영어명: 4-Aminomethylindole
분자식: C9H10N2
분자량: 146.19

이름 및 동의어

(1H-Indol-4-yl)methanamineRefChem:392743663-726-24-Aminomethylindole3468-18-61H-indol-4-ylmethanamine1h-indole-4-methanamine4-(Aminomethyl)indole1-(1H-indol-4-yl)methanamine(1H-Indol-4-ylmethyl)amineMFCD04973297(1H-Indol-4-ymetyl)amine

이름 더 보기

4-아미노메틸린돌NSC 131886CHEMBRDG-BB 4003293INDOLE-4-METHYLAMINE4-(Aminomethyl)indole 95%

4-(aminomethyl)-indole4-(Aminomethyl)indole, 95%c-(1h-indol-4-yl)methylamineC-(1H-Indol-4-yl)-methylamineAS-39487SY027224EN300-3330611H-indol

데이터베이스 식별자

CAS: 3468-18-6
PubChem CID: 280302
DTXSID: DTXSID00299654
ChEBI: CHEBI:187682
EC Number: 663-726-2
Nikkaji: J3.102.583D

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 41.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 132 ℃ · 132℃
끓는 점: 335.6 · 335.6±17.0 °C(Predicted)
밀도: 1.199 · 1.199
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 에탄올, 디메틸 설폭시드 및 디메틸 포름아미드에 용해됩니다.
산도 계수 (pKa): 17.21 · 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

GHS Classification · 5건

Danger

H302 (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 exposure; Respiratory 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2933998090
risk_code: 36/37/38-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

개요4-Aminomethylindole is a synthetic intermediate useful for pharmaceutical synthesis.

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