1-(2-디메틸아미노에틸)-5-옥소-피롤리딘-3-카르복실산

1-(2-(Dimethylamino)ethyl)-5-oxopyrrolidine-3-carboxylic acid

HCID 654521

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 856437-22-4
표준 SMILES: CN(C)CCN1CC(C(=O)O)CC1=O
InChIKey: YLZBIUIUXVYRRQ-UHFFFAOYSA-N
분자식: C9H16N2O3
평균 분자량: 200.23 g/mol
단동위원소 질량: 200.11609237

이름 및 식별자

우선 이름: 1-(2-(Dimethylamino)ethyl)-5-oxopyrrolidine-3-carboxylic acid
IUPAC: 1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
현지명: 1-(2-디메틸아미노에틸)-5-옥소-피롤리딘-3-카르복실산
영어명: 1-(2-Dimethylamino-ethyl)-5-oxo-pyrrolidine-3-carboxylic acid
분자식: C9H16N2O3
분자량: 200.23

이름 및 동의어

856437-22-41-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid1-(2-(dimethylamino)ethyl)-5-oxopyrrolidine-3-carboxylic acidDTXSID90349591RefChem:223077DTXCID30300661855-712-1MFCD065897791-(2-Dimethylamino-ethyl)-5-oxo-pyrrolidine-3-carboxylic acid1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid hydrochloride3-pyrrolidinecarboxylic acid, 1-[2-(dimethylamino)ethyl]-5-oxo-MLS000068064

이름 더 보기

1-(2-디메틸아미노에틸)-5-옥소-피롤리딘-3-카르복실산OTAVA-BB 1056573IFLAB-BB F1994-0010CHEMBRDG-BB 4010748UKRORGSYN-BB BBV-0332873-pyrrolidinecarboxylic acid, 1-[2-(dimethylamino)ethyl]-51-(2-dimethylaminoethyl)-5-oxo-3-pyrrolidinecarboxylic acid1-(2-dimethylaminoethyl)-5-keto-pyrrolidine-3-carboxylic acid1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid(SALTDATA: FREE)

0820AFF1994-0010SCHEMBL1798940CHEMBL2139871YLZBIUIUXVYRRQ-UHFFFAOYSA-NHMS1696A08HMS2180J13ALBB-009729

데이터베이스 식별자

CAS: 856437-22-4
PubChem CID: 654521
DTXSID: DTXSID90349591
ChEMBL: CHEMBL2139871
EC Number: 855-712-1

물성

구조 계산 물성

XLogP: -3.3
극성 표면적: 60.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 240

물리화학적 성질

물리적 상태: solid
InChI: 1S/C9H16N2O3/c1-10(2)3-4-11-6-7(9(13)14)5-8(11)12/h7H,3-6H2,1-2H3,(H,13,14)
InChIKey: YLZBIUIUXVYRRQ-UHFFFAOYSA-N
SMILES: O=C(C1)N(CCN(C)C)CC1C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.