N-Methylisopropylamine (HCID 78485)

이름 및 식별자

우선 이름: N-Methylisopropylamine
IUPAC: N-methylpropan-2-amine
영어명: N-Isopropylmethylamine
분자식: C4H11N
분자량: 73.14

이름 및 동의어

N-Isopropylmethylamine4747-21-1N-MethylisopropylamineMethylisopropylamineIsopropylmethylamine2-MethylaminopropaneN-Isopropyl-N-methylamineEthylamine, N,1-dimethyl-N-methyl-2-propanamineN-methyl-N-isopropylamineJ3OL90426Gmethyl(1-methylethyl)amine

이름 더 보기

MIPAN-methylpropan-2-amineN-Isopropylmethylamiisopropyl-methyl-amine

NSC 1065EINECS 225-266-7N,1-DimethylethylamineNSC-1065EC 225-266-72-(METHYLAMINO)PROPANEISOPROPYLAMINE, N-METHYL-DTXSID80871098

데이터베이스 식별자

CAS: 4747-21-1
PubChem CID: 78485
DTXSID: DTXSID80871098
UNII: J3OL90426G
EC Number: 225-266-7
Nikkaji: J121.770D

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 17.6

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

물리화학적 성질

녹는점: -55.1 °C · -55.1°C (estimate)
끓는 점: 50 · 50-53 °C (lit.)
밀도: 0.702 g/mL · 0.702 g/mL at 25 °C (lit.)
증기압: 4.15 psi · 4.15 psi ( 20 °C)
굴절률: 20 · n20/D 1.384(lit.)
인화점: 25 °F · −25 °F
저장 조건: Refrigerator, Under Inert Atmosphere
용해도: 클로로포름, DMSO, 메탄올에 용해됩니다.
물리적 상태: 액체
산도 계수 (pKa): 10.76 · 10.76±0.10(Predicted)
Specific Gravity: 0.702 · 0.702
색상: 무색의
BRN: 1730877 · 1730877
Henry's Law Constant: 1.6 · 1.6×10-1 mol/(m3Pa) at 25℃, Gharagheizi et al. (2012)
안정성: 휘발성 물질
InChI: 1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3
InChIKey: XHFGWHUWQXTGAT-UHFFFAOYSA-N
SMILES: CNC(C)C
LogP: 0.52 at · 0.52 at 25℃
NIST: 2 · 2-Propanamine, N-methyl-(4747-21-1)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 148 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 16-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10466

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 2734 8/PG 1
HS 번호: 29211990
risk_code: 11-34
hazard_code: F,C
safety_code: 16-26-36/37/39-45
포장분류: II
위험 등급: 3.1
F 고인화성물질: 9-23
Hazard Classifications: Acute Tox. 2 OralAcute Tox. 3 InhalationEye Dam. 1Flam. Liq. 2Skin Corr. 1A
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도N-Isopropylmethylamine is used in the generation of in situ micelles having distinct sizes, by sequential self-assembly of a series of stimuli-responsive amphiphilic block copolymers, prepared by reversible addition-fragmentation chain transfer (RAFT) polymerization. It is suitable for use in the synthesis of novel 5-ethoxy-N,N-dialkyl-[α,α,β,β-H4]-tryptamines and their [α,α,β,β,β-D4]-counterparts following the Speeter and Anthony procedure.

일반 설명N-Isopropylmethylamine is an unsymmetrical amine. Pd/C-catalyzed oxidative cross double carbonylation of N-isopropylmethylamine with alcohols has been reported.