3-메틸벤질아민

3-Methylbenzylamine

HCID 66015CAS 100-81-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccc(CN)c1
InChIKey: RGXUCUWVGKLACF-UHFFFAOYSA-N
분자식: C8H11N
평균 분자량: 121.18 g/mol
단동위원소 질량: 121.08914935

이름 및 식별자

우선 이름: 3-Methylbenzylamine
IUPAC: (3-methylphenyl)methanamine
현지명: 3-메틸벤질아민
영어명: 3-Methylbenzylamine
분자식: C8H11N
분자량: 121.18

이름 및 동의어

3-Methylbenzylaminem-MethylbenzylamineBenzenemethanamine, 3-methyl-1-(3-methylphenyl)methanamineBenzylamine, m-methyl-EINECS 202-890-8DTXSID3059218RefChem:94839Benzenemethanamine, 3methylDTXCID4032459UN2735202-890-8

이름 더 보기

3-메틸벤질아민3-Xylylamineα-Amino-m-xyleneRARECHEM AL BW 01643-Methyl-BenzylaminALPHA-AMINO-M-XYLENE(m-Tolylmethyl)amine

InChI=1/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1HRGXUCUWVGKLACF-UHFFFAOYSA-N100-81-2m-Tolylmethanamine(3-Methylphenyl)methanaminem-Xylylamine3-Methylbenzyl amine3-Methylbenzenemethanamine

데이터베이스 식별자

CAS: 100-81-2
PubChem CID: 66015
DTXSID: DTXSID3059218
ChEMBL: CHEMBL274573
UNII: JRQ2PCL7ZU
EC Number: 202-890-8
Nikkaji: J134.733K

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 80.6

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 19.71 °C · 19.71°C (estimate)
끓는 점: 202 · 202-205 °C(lit.)
밀도: 0.966 g/mL · 0.966 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.536(lit.)
인화점: 177 °F · 177 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 9.13 · 9.13±0.10(Predicted)
물리적 상태: 액체
색상: 무색투명~연황색
BRN: 507474 · 507474
InChI: 1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3
InChIKey: RGXUCUWVGKLACF-UHFFFAOYSA-N
SMILES: Cc1cccc(CN)c1
NIST: 3 · Benzenemethanamine, 3-methyl-(100-81-2)
EPA: 3 · Benzenemethanamine, 3-methyl- (100-81-2)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Benzylamine and alpha-Methylbenzylamine.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 3
HS 번호: 29214200
risk_code: 34
hazard_code: C,Xi
safety_code: 26-27-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenemethanamine, 3-methyl-: ACTIVE

응용 분야 · 1건

용도3-Methylbenzylamine ({(3-chlorophenyl)methanamine}) has been used as a templating agent in the synthesis of amine-templated materials containing two-dimensional lithium beryllofluoride sheets of the stoichiometry [LiBeF(4)](-). It has also been used to study the chromatographic behavior of a series of substituted aniline and pyridine basic compounds on C18 bonded silica.