Basic information
- CAS
53398-55-3- Standard SMILES
CC12CC3(C)CC(C)(C1)CC(Br)(C2)C3- InChIKey
DUNJTZWVWZSEKK-UHFFFAOYSA-N- Molecular formula
- C13H21Br
- Average molar mass
- 257.21 g/mol
- Monoisotopic mass
- 256.08266
Names & identifiers
- Preferred name
- 1-Bromo-3,5,7-trimethyladamantane
- IUPAC
- 1-bromo-3,5,7-trimethyladamantane
- English name
- 1-Bromo-3,5,7-trimethyladamantane
- Molecular formula
- C13H21Br
- Molecular weight
- 257.21
Names & synonyms
1-bromo-3,5,7-trimethyladamantane53398-55-3C13H21BrMFCD001540021-bromo-3,5,8-trimethyladamantaneHMS553D03Maybridge1_004115NSC2517581-Bromo-3,5,7-Trimethyl AdamantaneSCHEMBL1939702DTXSID80330377DUNJTZWVWZSEKK-UHFFFAOYSA-N
Show more names
NSC 251758Memantine Impurity 3(3s,5s,7s)-1-bromo-3,5,7-trimethyladamantane1-Bromo-3,5,7-trimethyltricyclo[3.3.1.1~3,7~]decaneAdamantane Impurity 1 (1-Bromo-3,5,7-Trimethyl Adamantane)
SBB054633AKOS022172992AKOS025395444NSC-251758Tricyclo[3.3.1.13,7]decane, 1-bromo-3,5,7-trimethyl-Adamantane Impurity 17DB-071674ST50949831
Database identifiers
- CAS
53398-55-3- PubChem CID
- 429253
- DTXSID
DTXSID80330377- EC Number
- 189-871-7
- Nikkaji
- J911.487D
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 101 °C · 101 °C
- Boiling point
- 254.2 · 254.2±9.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P271
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2902900000 · 2902900000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2902900000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P271
Chemistry & industry
Applications
Uses1-Bromo-3,5,7-trimethyladamantane is used as a reagent to synthesize Memantine (M218000) derivatives. Memantine is used as an antiparkinsonian and antispasmodic.
Upstream & downstream products
Downstream products
Suppliers73 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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