벤질이소프로필아민
N-벤질이소프로필아민 · 벤질이소프로필아민 · Isopropylbenzylamine · Benzylisopropylamine · N-BENZYLISOPROPYLAMINE · N-benzylpropan-2-aMine · N-Isopropylbenzylamine Crystal · Benzylamine, N-isopropyl-
식별자 및 물리적 특성
| CAS No. | 102-97-6 |
|---|---|
| 분자식 | C10H15N |
| 평균 분자량 | 149.23 g/mol |
| 단동위원소 질량 | 149.12044948 g/mol |
| SMILES | CC(C)NCc1ccccc1 |
| InChIKey | LYBKPDDZTNUNNM-UHFFFAOYSA-N |
| PubChem CID | 66024 |
| ChEMBL | CHEMBL3229275 |
| EC No. | 203-067-6 |
| DTXSID | DTXSID8059265 |
| 현지명 | 벤질이소프로필아민 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 12 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 93 |
| Ionization Efficiency | Positive4.772.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Kovats Retention Index | 1149.7 |
| 녹는점 | 143°C (estimate) |
| 끓는 점 | 200 °C(lit.) |
| 밀도 | 0.892 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.502(lit.) |
| 인화점 | 190 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 클로로포름(약간), 아세트산에틸(약간), 메탄올(약간)에 용해됨 |
| pKa(산도 계수) | 9.77±0.19(Predicted) |
| 물리적 상태 | 기름 |
| 색상 | 무색 |
| BRN | 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 | This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.WarningH315 (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 exposureRespiratory 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. |
|---|---|
| 규제 정보 | Status: Active Update: 16-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34344 |
| Hazard Classes and Categories | Skin Irrit. 2 (98%)Eye Irrit. 2 (95.9%)STOT SE 3 (93.9%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 2735 |
| 관세 코드 | 29214980 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 포장분류 | III |
| 위험 등급 | 8 |
용도
용도
N-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 설명
N-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 및 합성 방법
제조 방법
N-benzylisopropylamine is synthesized by the reduction reaction of N-isopropylbenzamide or prepared from benzylamine and acetone by reductive amination reaction.