2-페닐시클로프로판-1-아민

2-페닐시클로프로판-1-아민 · 2-Phenylcyclopropan-1-amine · 2-Phenylcyclopropylamine · Cyclopropanamine, 2-phenyl- · 2-Phenylcyclopropane-1-amine · 1-Amino-2-phenylcyclopropane

https://huagongshe.com/ko/chemical/5530

식별자 및 물리적 특성

CAS No.	155-09-9
분자식	C9H11N
평균 분자량	133.19 g/mol
단동위원소 질량	133.08914935 g/mol
SMILES	NC1CC1c1ccccc1
InChIKey	AELCINSCMGFISI-UHFFFAOYSA-N
PubChem CID	5530
ChEMBL	CHEMBL313833
ChEBI	CHEBI:131512
EC No.	205-841-9
DTXSID	DTXSID30859306
현지명	2-페닐시클로프로판-1-아민

화학 및 물리적 성질

XLogP	1.5
극성 표면적	26
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	116
의약품	Pharmaceuticals
LogP(분배 계수)	log Kow= 1.58 @ 25 °C1.49
Color/Form	Liquid
용해도	Sol in water /Sulfate/Very slightly sol in alcohol, ether /Sulfate/Practically insol in chloroform /Sulfate/
Human Drugs	Breast FeedingLactationAntidepressive AgentsMonoamine Oxidase Inhibitors
끓는 점	79-80 °C @ 1.5-1.6 mm Hg218.3±29.0 °C(Predicted)
녹는점	79-80 °C at 1.50E+00 mm HgMP: 164-166 °C /Hydrochloride/
Stability/Shelf Life	STABLE IN LIGHT, HEAT & IN AIR /SULFATE/
Collision Cross Section	127.6 Å² [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]
Other Experimental Properties	EITHER ODORLESS OR HAS FAINT, CINNAMALDEHYDE-LIKE ODOR & SLIGHTLY ACID TASTE /SULFATE/MELTS WITH DECOMP @ 218 °C /SULFATE/Crystals /Sulfate/Crystals from ethyl acetate & ether /Hydrochloride/WHITE CRYSTALLINE POWDER /SULFATE/
밀도	1.065±0.06 g/cm3(Predicted)
저장 조건	2-8°C(protect from light)
pKa(산도 계수)	8.24±0.10(Predicted)

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
규제 정보	Tranylcypromine: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Cyclopropanamine, 2-phenyl-, trans-(.+-.)-: Human health tier I assessment
FDA 요건	Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended21 U.S.C. 321-392).
Hazard Classes and Categories	Acute Tox. 4 (100%)
처리 방법	SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Treatment	Treatment should normally consist of general supportive measures, close observation of vital signs and steps to counteract specific symptoms as they occur, since MAO inhibition may persist. External cooling is recommended if hyperpyrexia occurs. Barbiturates have been reported to help relieve myoclonic reactions, but frequency of administration should be controlled carefully because Tranylcypromine may prolong barbiturate activity. When hypotension requires treatment, the standard measures for managing circulatory shock should be initiated. If pressor agents are used, the rate of infusion should be regulated by careful observation of the patient because an exaggerated pressor response sometimes occurs in the presence of MAO inhibition. (L1712)
상호 작용	HEXOBARBITAL SLEEPING TIME IS PROLONGED BY PARNATE, INDICATING ITS ABILITY TO POTENTIATE OTHER DRUGS PRESUMABLY BY INTERFERING WITH THEIR DETOXIFICATION. /PARNATE/MAO INHIBITORS ALSO ENHANCE EFFECTS OF EXOGENOUSLY ADMIN AMINES, SUCH AS 5-HT & NOREPINEPHRINE, AS WELL AS PRECURSORS, SUCH AS 3,4-HYDROXYPHENYLALANINE (DOPA) & 5-HYDROXYTRYPTOPHAN. /MAO INHIBITORS/

용도

2-Phenylcyclopropanamine is a useful reagent for the preparation of preparation of oxadiazole derivatives as fungicides.