4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione hydrochloride

HCID 21988525CAS 444287-40-5

기본 정보

표준 SMILES: Cl.NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIKey: TUMJPYMYNBEMDD-UHFFFAOYSA-N
분자식: C14H14ClN3O4
평균 분자량: 323.73 g/mol

이름 및 식별자

우선 이름: 4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione hydrochloride
IUPAC: 4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
영어명: 1H-Isoindole-1,3(2H)-dione, 4-(aminomethyl)-2-(2,6-dioxo-3-piperidinyl)-, hydrochloride (1:1)
분자식: C14H14ClN3O4
분자량: 323.73

이름 및 동의어

444287-40-54-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione hydrochlorideRefChem:514993896-875-94-(Aminomethyl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione hydrochloride1H-Isoindole-1,3(2H)-dione,4-(aminomethyl)-2-(2,6-dioxo-3-piperidinyl)-, monohydrochlorideMFCD321837151H-Isoindole-1,3(2H)-dione, 4-(aminomethyl)-2-(2,6-dioxo-3-piperidinyl)-, hydrochloride (1:1)Thalidomide-CH2NH2 HClorb3022038SCHEMBL1961858SCHEMBL29377763

이름 더 보기

1H-Isoindole-1,3(2H)-dione, 4-(aminomethyl)-2-(2,6-dioxo-3-piperidinyl) hydrochloride

Thalidomide-CH2NH2 hydrochlorideCOAGYRHYZRMZHS-UHFFFAOYSA-NThalidomide-CH2NH2 (hydrochloride)TYD-01981DB-087149CS-0106882E81287EN300-33070358

데이터베이스 식별자

CAS: 444287-40-5
PubChem CID: 21988525
EC Number: 896-875-9

물성

구조 계산 물성

극성 표면적: 110 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 22
형식 전하: 0
복잡도: 518

물리화학적 성질

저장 조건: 2 · 2-8°C
물리적 상태: powder
InChI: 1S/C14H13N3O4/c15-6-7-2-1-3-8-11(7)14(21)17(13(8)20)9-4-5-10(18)16-12(9)19/h1-3,9H,4-6,15H2,(H,16,18,19)
InChIKey: TUMJPYMYNBEMDD-UHFFFAOYSA-N
SMILES: NCC1=C(C(N(C2CCC(NC2=O)=O)C3=O)=O)C3=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
Hazard Classifications: Repr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects