Ethyl 2-(4-aminocyclohexyl)acetate

HCID 3573480

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 76308-15-1
표준 SMILES: CCOC(=O)CC1CCC(N)CC1
InChIKey: SBVCDGKSVSHGFL-KYZUINATSA-N
분자식: C10H19NO2
평균 분자량: 185.26 g/mol
단동위원소 질량: 185.14157885

이름 및 식별자

우선 이름: Ethyl 2-(4-aminocyclohexyl)acetate
IUPAC: ethyl 2-(4-aminocyclohexyl)acetate
영어명: Cyclohexaneacetic acid,4-aMino-,ethyl ester,trans-
분자식: C10H19NO2
분자량: 185.26

이름 및 동의어

Ethyl 2-(4-aminocyclohexyl)acetate76308-28-6Ethyl 2-(trans-4-aminocyclohexyl)acetate343775-23-5Ethyl trans-2-(4-aminocyclohexyl)acetate76308-15-1Ethyl 2-(cis-4-aminocyclohexyl)acetateMFCD01333995MFCD01995054(trans-4-Aminocyclohexyl)acetic Acid Ethyl EsterCyclohexaneacetic acid, 4-amino-, ethyl ester, cis-(trans-4-Aminocyclohexyl)aceticAcidEthylEster

이름 더 보기

(2Z)-2-(2-iodophenoxy)but-2-enoicacidEthyl (trans-4-aminocyclohexyl)acetate

ethyl 2-[(1r,4r)-4-aminocyclohexyl]acetateCyclohexaneacetic acid,4-amino-,ethyl ester,trans-Ethyltrans-2-(4-Aminocyclohexyl)acetateethyl 2-[(1s,4s)-4-aminocyclohexyl]acetateethyl 2-((1r,4r)-4-aminocyclohexyl)acetateEthyl 2-((1s,4s)-4-aminocyclohexyl)acetateEthyl (4-aminocyclohexyl)acetateEthyl 4-aminocyclohexaneacetate

데이터베이스 식별자

CAS: 76308-15-1、76308-28-6
PubChem CID: 3573480
UNII: AFX68TLD4V、VUW5EFB5CB
EC Number: 616-319-9
Nikkaji: J1.121.328F、J1.121.329D

물성

구조 계산 물성

XLogP: 1
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 162

물리화학적 성질

끓는 점: 253.2 · 253.2±13.0 °C(Predicted)
밀도: 0.984 · 0.984±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 10.49 · 10.49±0.70(Predicted)