Basic information
- CAS
61903-11-5- Standard SMILES
CC(=O)N1CCCNCC1- InChIKey
TWJPZMYNUBAUGA-UHFFFAOYSA-N- Molecular formula
- C7H14N2O
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.11061307
Names & identifiers
- Preferred name
- N-Acetylhomopiperazine
- IUPAC
- 1-(1,4-diazepan-1-yl)ethanone
- English name
- N-Acetylhomopiperazine
- Molecular formula
- C7H14N2O
- Molecular weight
- 142.2
Names & synonyms
N-Acetylhomopiperazine61903-11-5DTXSID00400480RefChem:363149DTXCID90351336628-822-01-(1,4-diazepan-1-yl)ethanone1-(1,4-Diazepan-1-Yl)Ethan-1-One1-AcetylhomopiperazineMFCD006744924-acetylhomopiperazineN-acetyl-homopiperazine
Show more names
ACHPRZ4-Acetyl-1,4-diazepane1-ACETYL-1,4-DIAZEPANEN-AcetylhomopiperazinepurumN-Acetylhomopiperazine ,97%1-[1,4]DIAZEPAN-1-YL-ETHANONE
N-acetyl-homopiperizineSCHEMBL44868AKOS000119045CS-W011017SY061927F8881-2646Z1666459861-Acetylhexahydro-1H-1,4-diazepine
Database identifiers
- CAS
61903-11-5- PubChem CID
- 4186202
- DTXSID
DTXSID00400480- EC Number
- 628-822-0
- Nikkaji
- J2.146.216K
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 275 ℃ · 275℃
- Density
- 1.077 g/mL · 1.077 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.510
- Flash point
- 120 ℃ · 120℃
- storage temp.
- -20 °C · -20°C
- pka
- 9.82 · 9.82±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Sensitive
- Air Sensitive
- BRN
- 606764 · 606764
- InChI
- InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3
- InChIKey
- TWJPZMYNUBAUGA-UHFFFAOYSA-N
- SMILES
- C(=O)(N1CCCNCC1)C
- CAS DataBase Reference
- 61903 · 61903-11-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 3-10-34
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2735 8/PG 3
- hs_code
- 29339900
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H318-H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers61 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海凯盟化学科技有限公司18916626092
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
45 records
Compound notes
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