Basic information
- CAS
5492-61-5- Standard SMILES
C1CN2CCC(C2)N1.Cl.Cl- InChIKey
CTBNEKSAJTWOFM-UHFFFAOYSA-N- Molecular formula
- C6H14Cl2N2
- Average molar mass
- 185.09 g/mol
Names & identifiers
- Preferred name
- 1,4-Diazabicyclo[3.2.1]octane dihydrochloride
- IUPAC
- 1,4-diazabicyclo[3.2.1]octane;dihydrochloride
- English name
- 1,4-Diazabicyclo[3.2.1]octane dihydrochloride
- Molecular formula
- C6H14Cl2N2
- Molecular weight
- 185.09476
Names & synonyms
1,4-diazabicyclo[3.2.1]octane dihydrochloride5492-61-51,4-diazabicyclo(3.2.1)octane dihydrochlorideRefChem:416670819-242-01,4-diazabicyclo[3.2.1]octane 2hclMFCD27976570(1R)-1,4-Diazabicyclo[3.2.1]octane dihydrochloride1,4-diazabicyclo[3.2.1]octane;dihydrochloride1,4-Diazabicyclo[3.2.1]octane diHCl(1R,5R)-1,4-Diazabicyclo[3.2.1]octane diHClSCHEMBL767923
Show more names
1,4-Diaza-bicyclo[3.2.1]octane hydrochloride1,4-diazabiscyclo[3.2.1]octylalkanedihydrochloride1,4-Diazabicyclo[3.2.1]octane dihydrochloride - [D11752](2Z)-1,1,1-Trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate
CHEMBL5198532CTBNEKSAJTWOFM-UHFFFAOYSA-NFAA49261AKOS025290339SB20761SB20763SB20765AS-34721
Database identifiers
- CAS
5492-61-5- PubChem CID
- 12374078
- ChEMBL
CHEMBL5198532- EC Number
- 819-242-0
Properties
Computed structural properties
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 92.5
Physicochemical properties
- storage temp.
- Store at room temperature
- form
- solid
- Appearance
- White to light brown Solid
- InChI
- 1S/C6H12N2.2ClH/c1-3-8-4-2-7-6(1)5-8;;/h6-7H,1-5H2;2*1H
- InChIKey
- CTBNEKSAJTWOFM-UHFFFAOYSA-N
- SMILES
- N12CC(NCC2)CC1.Cl.Cl
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers23 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
济宁横渠生物技术有限公司18118824509 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
泰迩生物医药泰州有限公司052386810091 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
Related reactions
6 records
Compound notes
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