N-메틸-TERT-부틸아민

N-Methyl-tert-butylamine

HCID 84552CAS 14610-37-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CNC(C)(C)C
InChIKey: ZQGJEUVBUVKZKS-UHFFFAOYSA-N
분자식: C5H13N
평균 분자량: 87.16 g/mol
단동위원소 질량: 87.10479942

이름 및 식별자

우선 이름: N-Methyl-tert-butylamine
IUPAC: N,2-dimethylpropan-2-amine
현지명: N-메틸-TERT-부틸아민
영어명: N-METHYL-TERT-BUTYLAMINE
분자식: C5H13N
분자량: 87.16

이름 및 동의어

N-Methyl-tert-butylamine14610-37-8N,2-Dimethyl-2-propanamineEINECS 238-646-2DTXSID70163272RefChem:830657DTXCID8085763238-646-2N-tert-ButylmethylamineN,2-dimethylpropan-2-amine2-Propanamine, N,2-dimethyl-tert-butyl(methyl)amine

이름 더 보기

N-메틸-TERT-부틸아민METHYL-TERT-BUTYLAMINENSC 225080AKOS BC-1242N-T-BUTYLMETHYLAMINEN-Methyl-tert-butylamin

tert-butylmethylamineMFCD00042853N-Methyl-2-methyl-2-propanamineN-Methyl-tert.-ButylamineN-tert-ButylmethanamineNSC-225080N,1,1-Trimethylethanaminet-butylmethylamine

데이터베이스 식별자

CAS: 14610-37-8
PubChem CID: 84552
DTXSID: DTXSID70163272
UNII: WYU2EJ5X3S
EC Number: 238-646-2
Nikkaji: J241.324H

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 33.7

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

녹는점: -75 °C · -75°C (estimate)
끓는 점: 67 · 67-69 °C(lit.)
밀도: 0.727 g/mL · 0.727 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.395(lit.)
인화점: 15 °F · −15 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 10.76 · 10.76±0.20(Predicted)
물리적 상태: 액체
색상: Clear, colourless
BRN: 1730941 · 1730941
InChI: 1S/C5H13N/c1-5(2,3)6-4/h6H,1-4H3
InChIKey: ZQGJEUVBUVKZKS-UHFFFAOYSA-N
SMILES: CNC(C)(C)C

화학적 성질

clear colorless liquid

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, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 2733 3/PG 2
HS 번호: 29211990
risk_code: 11-20/21/22-34
hazard_code: F,C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 3
F 고인화성물질: 10-34
위험 참고 사항: Highly Flammable/Corrosive
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도N-tert-Butylmethylamine may be used in the preparation of 3-benzyl-N-tert-butyl-N,3-dimethyl-2,3-dihydrobenzofuran-6-carboxamide. N-tert-Butylmethylamine (N-Methyl-tert-butylamine) may be used in the preparation of 2-(α-N-methyl-tert-butylaminobenzyl)-1-indenone.