기본 정보
- 표준 SMILES
O=CN1CCNCC1- InChIKey
MSSDTZLYNMFTKN-UHFFFAOYSA-N- 분자식
- C5H10N2O
- 평균 분자량
- 114.15 g/mol
- 단동위원소 질량
- 114.07931294
개요
1-piperazinecarboxaldehyde is a member of the class of piperazine-1-carbaldehydes that is piperazine substituted by a formyl group at position 1.
이름 및 식별자
- 우선 이름
- 1-Piperazinecarboxaldehyde
- IUPAC
- piperazine-1-carbaldehyde
- 영어명
- 1-Piperazinecarbaldehyde
- 분자식
- C5H10N2O
- 분자량
- 114.15
이름 및 동의어
1-Formylpiperazine7755-92-21-PiperazinecarboxaldehydeDTXSID1064790EINECS 231-813-0NSC 511082RefChem:77020DTXCID8047977MSSDTZLYNMFTKN-UHFFFAOYSA-NPiperazine-1-carbaldehyde1-PiperazinecarbaldehydeFormylpiperazine
이름 더 보기
1-FormylpiperazinN-FORMY PIPERAZINE1-Formylpiperazine>LABOTEST-BB LT002331971-Formylpiperazine,98%
N-FormylpiperazinePiperazine-1-carboxaldehydel-formylpiperazinepiperazin-1-yl-methanoneMFCD000059631-Piperazinecarbaldehyde #piperazinecarbaldehydeF0194
데이터베이스 식별자
- CAS
7755-92-2- PubChem CID
- 82191
- DTXSID
DTXSID1064790- ChEBI
CHEBI:151031- EC Number
- 231-813-0
- Nikkaji
- J254B
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 32.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 78.5
물리화학적 성질
- 녹는점
- 88 · 88-91
- 끓는 점
- 264 · 264-266 °C
- 밀도
- 1.107 g/mL · 1.107 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.512
- 인화점
- 215 °F · 215 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 8.58 · 8.58±0.10(Predicted)
- Specific Gravity
- 1.107 · 1.107
- 색상
- 무색~황색으로 투명함
- BRN
- 110295 · 110295
- InChI
- 1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2
- InChIKey
- MSSDTZLYNMFTKN-UHFFFAOYSA-N
- SMILES
- [H]C(=O)N1CCNCC1
- NIST
- 1 · 1-Piperazinecarboxaldehyde(7755-92-2)
- EPA
- 1 · 1-Piperazinecarboxaldehyde (7755-92-2)
화학적 성질
clear colorless to faintly yellow liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.
Danger
H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (87.5%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- HS 번호
- 29335990
- risk_code
- 22-37/38-41-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing Information1-Piperazinecarboxaldehyde: ACTIVE
응용 분야
용도1-Formylpiperazine is sutable for use as a test compound in the kinetic study of the reaction of 4-nitrophenyl 2-thiophenecarboxylate with secondary alicyclic amines.
일반 설명1-Formylpiperazine, a secondary alicyclic amine is a piperazine derivative. Its synthesis has been reported. The kinetics of its reaction with O-aryl S-aryl dithiocarbonates has been studied. The IR and Raman spectra of 1-formylpiperazine have been investigated.
상·하류 제품 정보
상류 원료
하류 제품
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