TERT-부틸(3-BROMO-2-OXOPROPYL)카르바메이트

(2-Methyl-1,3-dioxolan-2-yl)methanamine

HCID 12434663CAS 3289-19-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(CN)OCCO1
InChIKey: BVVSUFVLGBJYOR-UHFFFAOYSA-N
분자식: C5H11NO2
평균 분자량: 117.15 g/mol

이름 및 식별자

우선 이름: (2-Methyl-1,3-dioxolan-2-yl)methanamine
IUPAC: (2-methyl-1,3-dioxolan-2-yl)methanamine
현지명: TERT-부틸(3-BROMO-2-OXOPROPYL)카르바메이트
영어명: TERT-BUTYL (3-BROMO-2-OXOPROPYL)CARBAMATE
분자식: C5H11NO2
분자량: 117.15

이름 및 동의어

(2-methyl-1,3-dioxolan-2-yl)methanamine3289-19-8RefChem:396031800-226-72-(aminomethyl)-2-methyl-1,3-dioxolaneMFCD106981992-Methyl-1,3-dioxolane-2-methanamine1-(2-METHYL-1,3-DIOXOLAN-2-YL)METHANAMINEaminoacetone ethylene ketalSCHEMBL855973BVVSUFVLGBJYOR-UHFFFAOYSA-NALBB-031805

이름 더 보기

TERT-부틸(3-BROMO-2-OXOPROPYL)카르바메이트1,3-Dioxolane-2-methanamine, 2-methyl-(2-Methyl-1,3-dioxolan-2-yl)methylamineTERT-BUTYL (3-BROMO-2-OXOPROPYL)CARBAMATE2-(2-Methyl-1,3-dioxolan-2-yl)methan-1-amine

AKOS0063043902-aminomethyl-2-methyl-1,3-dioxolaneAB61528SS-45602-methyl-2-(aminomethyl)-1,3-dioxolaneSY059032DB-303419CS-0139213

데이터베이스 식별자

CAS: 3289-19-8
PubChem CID: 12434663
EC Number: 800-226-7
Nikkaji: J1.368.725K

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 78.5

물리화학적 성질

녹는점: 28 °C · 28 °C
끓는 점: 156.4 · 156.4±15.0 °C(Predicted)
밀도: 1.027 · 1.027±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 9.77 · 9.77±0.29(Predicted)
물리적 상태: 액체
색상: Clear, colourless

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

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