CAS 102-97-6 Isopropylbenzylamine (HCID 66024)

이름 및 식별자

우선 이름: Isopropylbenzylamine
IUPAC: N-benzylpropan-2-amine
현지명: 벤질이소프로필아민
영어명: N-Isopropylbenzylamine
분자식: C10H15N
분자량: 149.23

이름 및 동의어

N-Isopropylbenzylamine102-97-6N-BenzylisopropylamineIsopropylbenzylamineN-Benzyl-N-isopropylamineBenzenemethanamine, N-(1-methylethyl)-BenzylisopropylamineBenzylamine, N-isopropyl-67SYC92FNSDTXSID8059265NSC-60295RefChem:792241

이름 더 보기

N-벤질이소프로필아민벤질이소프로필아민N-Isopropylbenzylamine CrystalAURORA KA-7714n-(1-methylethyl)-benzenemethanaminN-(1-Methylethyl)-benzeneMethanaMine hydrochloride

DTXCID1032694203-067-6N-benzylpropan-2-amineMFCD00008863N-isopropyl-N-benzylamine(methylethyl)benzylamineN-(1-METHYLETHYL)BENZENEMETHANAMINEN-(1-Methylethyl)-benzenemethanamine

데이터베이스 식별자

CAS: 102-97-6
PubChem CID: 66024
DTXSID: DTXSID8059265
ChEMBL: CHEMBL3229275
UNII: 67SYC92FNS
EC Number: 203-067-6
Nikkaji: J149.906H

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 93

실험 및 물리화학적 성질

Ionization Efficiency · 6건

Positive

4.77

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Kovats Retention Index1149.7

물리화학적 성질

녹는점: 143 °C · 143°C (estimate)
끓는 점: 200 °C · 200 °C(lit.)
밀도: 0.892 g/mL · 0.892 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.502(lit.)
인화점: 190 °F · 190 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름(약간), 아세트산에틸(약간), 메탄올(약간)에 용해됨
산도 계수 (pKa): 9.77 · 9.77±0.19(Predicted)
물리적 상태: 기름
색상: 무색
BRN: 2638437 · 2638437
InChI: 1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey: LYBKPDDZTNUNNM-UHFFFAOYSA-N
SMILES: CC(C)NCc1ccccc1
NIST: Benzenemethanamine, N-(1-methylethyl)-(102-97-6)
EPA: Benzenemethanamine, N-(1-methylethyl)- (102-97-6)

화학적 성질

CLEAR VERY SLIGHTLY YELLOW TO YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 49 reports by companies.；There are 6 notifications provided by 48 of 49 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 16-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34344

Hazard Classes and CategoriesSkin Irrit. 2 (98%)；Eye Irrit. 2 (95.9%)；STOT SE 3 (93.9%)

규제 정보

Regulatory InformationStatus: Active Update: 16-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34344

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2735
HS 번호: 29214980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 8
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenemethanamine, N-(1-methylethyl)-: ACTIVE

응용 분야 · 2건

용도N-Isopropylbenzylamine, can be used as an intermediate in the synthesis of pharmaceutical compounds,and as a precursor to the manufacture of some drugs. Due to it’s similarity in appearance and physical properties to methamphetamine, it has been recently come under consideration of DEA.

일반 설명N-isopropylbenzylamine is a structural isomer of methamphetamine, is one of the most common adulterants. It forms amine adducts with magnesocene at ambient temperature in toluene.

제조 방법

N-benzylisopropylamine is synthesized by the reduction reaction of N-isopropylbenzamide or prepared from benzylamine and acetone by reductive amination reaction.