기본 정보
- 표준 SMILES
NC1CC1- InChIKey
HTJDQJBWANPRPF-UHFFFAOYSA-N- 분자식
- C3H7N
- 평균 분자량
- 57.09 g/mol
- 단동위원소 질량
- 57.05784922
개요
Cyclopropylamine is a primary aliphatic amine that consists of cyclopropane bearing a single amino substituent. It has a role as a mouse metabolite.
이름 및 식별자
- 우선 이름
- Cyclopropylamine
- IUPAC
- cyclopropanamine
- 현지명
- 시클로프로필아민
- 영어명
- Cyclopropylamine
- 분자식
- C3H7N
- 분자량
- 57.09
이름 및 동의어
CyclopropylamineCyclopropanamine765-30-0Aminocyclopropane8PR8XTH1X1NSC-56127DTXSID9061099CHEBI:34660RefChem:581232DTXCID8047890212-142-2C3H7N
이름 더 보기
시클로프로필아민사이클로프로필아민AURORA KA-2551CydopropylamineCylopropylamineCyloprolylamineRing propylaMineAMINOTRIMETHYLENEAKOS BBS-00003593
MFCD00001301cyclopropyl amineEINECS 212-142-2Moxifloxacin Impurity 90NSC 56127UNII-8PR8XTH1X1cyclopropyaminecyclopropylamin
데이터베이스 식별자
- CAS
765-30-0- PubChem CID
- 69828
- DTXSID
DTXSID9061099- ChEBI
CHEBI:34660- UNII
- 8PR8XTH1X1
- EC Number
- 212-142-2
- Nikkaji
- J79.937H
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 4
- 형식 전하
- 0
- 복잡도
- 22.5
실험 및 물리화학적 성질
SpringerMaterials PropertiesCoriolis coupling
LogP0.07
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- -50 °C · -50 °C
- 끓는 점
- 49 · 49-50 °C (lit.)
- 밀도
- 0.824 g/mL · 0.824 g/mL at 25 °C (lit.)
- 증기압
- 4.67 psi · 4.67 psi ( 20 °C)
- 굴절률
- 20 · n20/D 1.420(lit.)
- 인화점
- 14 °F · −14 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- Chloroform, Ethyl Acetate (Sparingly), Methanol (Slightly)
- 물리적 상태
- 휘발성 액체
- 산도 계수 (pKa)
- 1 · pK1:9.10(+1) (25°C)
- 색상
- 무색의
- Specific Gravity
- 0.824 · 0.824
- 수용성
- 물, 에탄올, 에테르, 클로로포름과 혼합 가능.
- 비열
- 2.58 J/ · Cp(liquid): 2.58 J/(g·K), at 25℃
- BRN
- 741858 · 741858
- 안정성
- 휘발성 물질
- InChI
- 1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2
- InChIKey
- HTJDQJBWANPRPF-UHFFFAOYSA-N
- SMILES
- NC1CC1
- LogP
- 0.07 · 0.070
- NIST
- Cyclopropylamine(765-30-0)
- EPA
- Cyclopropanamine (765-30-0)
화학적 성질
Cyclopropylamine is a colorless and transparent flammable liquid with volatility and ammonia odor. It is miscible with water, methanol, ethanol, benzene, toluene and other solvents.
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 203 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Cyclopropanamine
Cyclopropanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopropanamine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 08-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5343
Cyclopropylamine: HSNO Approval: HSR004423 Approved with controls
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GZ0685500
- ridadr
- UN 2733 3/PG 2
- 독성
- LD50 orally in Rabbit: 445 mg/kg
- HS 번호
- 29213099
- risk_code
- 11-22-34-36/37
- hazard_code
- F,C,Xi
- safety_code
- 16-26-36/37/39-45-33-7/9
- 포장분류
- II
- 위험 등급
- 3
- 기존화학 물질
- KE-09316
- 위험 참고 사항
- Extremely Flammable/Harmful/Corrosive/Lachrymatory
- 자연 발화 온도
- 527 °F
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Cyclopropanamine: ACTIVE
응용 분야
용도시클로 프로필 아민 농약 및 주로 시프 로플록사신 생산에 사용되는 제약 중간체는 살충제 및 식물 보호자의 합성에도 사용됩니다. 중간체로서 살충제와 식물 보호자의 합성에도 사용됩니다.
용도Cyclopropylamine is used in the preparation of N-[4-(4-fluoro)phenyl-2-aminothiazol-5-yl]pyrimidin-2-yl-alkylamine derivatives. It is also used to prepare Pt(CPA)2(bismethylthiomethylenepropanedioate) and Pt(CPA)2(bisethylthiomethylenepropanedioate) complexes.
제조 방법
Cyclopropylamine is synthesized from 1,3-propanediol by bromination, cyanation, cyclization, amidation, and Hoffmann rearrangement. It is also synthesized with γ-butyrolactone and isopropanol by five steps of ring-opening esterification, cyclization, hydrolysis, acylation and Hofmann degradation.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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추가 설명
정의ChEBI: Cyclopropylamine is a primary aliphatic amine that consists of cyclopropane bearing a single amino substituent. It has a role as a mouse metabolite.
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