1,3-Dioxolane-2-methanamine, N-methyl-

HCID 541754

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 57366-77-5
표준 SMILES: CNCC1OCCO1
InChIKey: ZCCPVTVGEQLONB-UHFFFAOYSA-N
분자식: C5H11NO2
평균 분자량: 117.15 g/mol
단동위원소 질량: 117.07897859

이름 및 식별자

우선 이름: 1,3-Dioxolane-2-methanamine, N-methyl-
IUPAC: 1-(1,3-dioxolan-2-yl)-N-methylmethanamine
영어명: 2-Methylaminomethyl-1,3-dioxolane
분자식: C5H11NO2
분자량: 117.15

이름 및 동의어

57366-77-5N-Methyl-1,3-dioxolane-2-methanamine1,3-Dioxolane-2-methanamine, N-methyl-DTXSID90205966RefChem:414909DTXCID201284572-Methylaminomethyl-1,3-dioxolane1-(1,3-dioxolan-2-yl)-N-methylmethanamineMFCD00010422[(1,3-dioxolan-2-yl)methyl](methyl)amineSCHEMBL441973SCHEMBL5000606

이름 더 보기

2-Methylaminomethyl-1,3-dioxolane 98%2-METHYLAMINOMETHYL-1,3-DIOXOLANE USP/EP/BP

2-Methylaminomethyl-13-dioxolane2-methylaminomethyl-1,3 dioxolaneSTR048072-methylaminomethyl-1, 3 dioxolane[1,3]dioxolan-2-ylmethylmethylamine[1,3]dioxolan-2-ylmethyl-methylamineAKOS006223008[1,3]-dioxolan-2-ylmethyl-methylamine

데이터베이스 식별자

CAS: 57366-77-5
PubChem CID: 541754
DTXSID: DTXSID90205966
EC Number: 621-371-0
Nikkaji: J149.580A

물성

구조 계산 물성

XLogP: -0.6
극성 표면적: 30.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 61.4

물리화학적 성질

끓는 점: 150.2 · 150.2±15.0 °C(Predicted)
밀도: 1.029 g/mL · 1.029 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4404(lit.)
인화점: 137 °F · 137 °F
산도 계수 (pKa): 10.25 · 10.25±0.10(Predicted)
InChI: 1S/C5H11NO2/c1-6-4-5-7-2-3-8-5/h5-6H,2-4H2,1H3
InChIKey: ZCCPVTVGEQLONB-UHFFFAOYSA-N
SMILES: CNCC1OCCO1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 1,3-Dioxolane-2-methanamine, N-methyl-

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
포장분류: III
위험 등급: 3.2
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도2-Methylaminomethyl-1,3-dioxolane was used in the synthesis of N-[methyl(2-hydroxy-3,5-dimethylphenyl)]-N-methyl-N-methyl-1,3-dioxolaneamine (mpoa-H).