Basic information
- CAS
51102-41-1- Standard SMILES
CN1CC2CCC(C1)N2- InChIKey
OQMSHITZFTVBHN-UHFFFAOYSA-N- Molecular formula
- C7H14N2
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.11569845
Names & identifiers
- Preferred name
- 3-Methyl-3,8-diazabicyclo(3.2.1)octane
- IUPAC
- 3-methyl-3,8-diazabicyclo[3.2.1]octane
- English name
- 3-Methyl-3,8-diazabicyclo[3,2,1]octane
- Molecular formula
- C7H14N2
- Molecular weight
- 126.2
Names & synonyms
3-Methyl-3,8-diazabicyclo[3.2.1]octane51102-41-1DTXSID604953123-Methyl-3,8-diazabicyclo(3.2.1)octaneRefChem:280831DTXCID60446122805-992-652407-92-83-METHYL-3,8-DIAZA-BICYCLO[3.2.1]OCTANE3-METHYL-3,8-DIAZABICYCLO[3,2,1]OCTANE3,8-Diazabicyclo[3.2.1]octane, 3-methyl-MFCD23102152
Show more names
(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]octane3-Methyl-3,8-diaza-bicyclo[3.2.1]octane HCl
SCHEMBL50733SCHEMBL734243OQMSHITZFTVBHN-UHFFFAOYSA-NSB11256SY009003DB-071301CS-0046686EN300-114836
Database identifiers
- CAS
51102-41-1、52407-92-8- PubChem CID
- 12378900
- DTXSID
DTXSID60495312- EC Number
- 805-992-6
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 84 · 84-87 °C(Press: 30 Torr)
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 10.54 · 10.54±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
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
H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (25%)
Safety data
- Signal word
- warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Chemistry & industry
Suppliers26 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Related reactions
16 records
Compound notes
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