(2,2-디메틸-[1,3]-DIOXOLAN-4-YL)-메틸아민

1,3-Dioxolane-4-methanamine, 2,2-dimethyl-

HCID 4122349CAS 22195-47-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)OCC(CN)O1
InChIKey: HXOYWCSTHVTLOW-UHFFFAOYSA-N
분자식: C6H13NO2
평균 분자량: 131.17 g/mol
단동위원소 질량: 131.09462866

이름 및 식별자

우선 이름: 1,3-Dioxolane-4-methanamine, 2,2-dimethyl-
IUPAC: (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
현지명: (2,2-디메틸-[1,3]-DIOXOLAN-4-YL)-메틸아민
영어명: (2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE
분자식: C6H13NO2
분자량: 131.17

이름 및 동의어

1,3-Dioxolane-4-methanamine, 2,2-dimethyl-RefChem:414931628-774-022195-47-72,2-Dimethyl-1,3-dioxolane-4-methanamine(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine(2,2-Dimethyl-[1,3]-dioxolan-4-yl)-methylamineMFCD013213842,2-Dimethyl-1,3-dioxolan-4-methylamine1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamineSCHEMBL4791432,2-dimethyl-1,3-dioxolan-4-methanamine

이름 더 보기

(2,2-디메틸-[1,3]-DIOXOLAN-4-YL)-메틸아민2,2-Dimethyl-1,3-Dioxolane-4-Methanamine97%2,2-DiMethyl-1,3-dioxolane-4-MethanaMine 97%(2,2-DiMethyl-[1,3]-dioxolan-4-YL)-MethanaMine2,2-dimethyl-1,3-dioxypentylcyclo-4-methylamine

STR052452,2-dimethyl-4-aminomethyl-1,3-dioxolaneCS-0080672(S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanamineAM90191(R)-4-Aminomethyl-2,2-dimethyl-1,3-dioxolaneFT-0696016(2,2-Dimethyl-[1,3]-dioxolan-4-yl)methylamine

데이터베이스 식별자

CAS: 22195-47-7
PubChem CID: 4122349
DTXSID: DTXSID10399553
EC Number: 628-774-0
Nikkaji: J1.790.951G

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 103

물리화학적 성질

끓는 점: 147 · 147-148 °C14 mm Hg(lit.)
밀도: 1.012 g/mL · 1.012 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.438(lit.)
인화점: 155 °F · 155 °F
저장 조건: -20 °C · Storage temp. -20°C
물리적 상태: 액체
산도 계수 (pKa): 9.16 · 9.16±0.29(Predicted)
색상: 무색~황색
InChI: InChI=1S/C6H13NO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4,7H2,1-2H3
InChIKey: HXOYWCSTHVTLOW-UHFFFAOYSA-N
SMILES: O1CC(CN)OC1(C)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (72.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 144 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.