Basic information
- CAS
53104-32-8- Standard SMILES
CC1(C)OCC(N)(CO)CO1- InChIKey
FZKNPLIAARFREX-UHFFFAOYSA-N- Molecular formula
- C7H15NO3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.10519334
Names & identifiers
- Preferred name
- (5-Amino-2,2-dimethyl-1,3-dioxan-5-yl)methanol
- IUPAC
- (5-amino-2,2-dimethyl-1,3-dioxan-5-yl)methanol
- English name
- (5-Amino-2,2-dimethyl-[1,3]dioxan-5-yl)-methanol
- Molecular formula
- C7H15NO3
- Molecular weight
- 161.2
Names & synonyms
(5-amino-2,2-dimethyl-1,3-dioxan-5-yl)methanolDTXSID40306114RefChem:403777DTXCID30257242878-879-253104-32-85-Amino-2,2-dimethyl-1,3-dioxane-5-methanolMFCD03425848(5-AMINO-2,2-DIMETHYL-[1,3]DIOXAN-5-YL)-METHANOLMLS0031068101,3-Dioxane-5-methanol, 5-amino-2,2-dimethyl-NSC174133
Show more names
AKOS 535-AMINO-2,2-DIMETHYL-1,3-DIOXANE-5-METH&5-Amino-2,2-dimethyl-1,3-dioxane-5-methanol , 98+%
SCHEMBL3061881CHEMBL3185723FZKNPLIAARFREX-UHFFFAOYSA-NDCA10432ZB1476AKOS000278206MB02834NSC-174133
Database identifiers
- CAS
53104-32-8- PubChem CID
- 300060
- DTXSID
DTXSID40306114- ChEMBL
CHEMBL3185723- EC Number
- 878-879-2
- Nikkaji
- J975.441E
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 55 °C · 55 °C
- Boiling point
- 110 °C · 110 °C(Press: 0.3 Torr)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.58 · 14.58±0.10(Predicted)
- InChI
- InChI=1S/C7H15NO3/c1-6(2)10-4-7(8,3-9)5-11-6/h9H,3-5,8H2,1-2H3
- InChIKey
- FZKNPLIAARFREX-UHFFFAOYSA-N
- SMILES
- O1CC(N)(CO)COC1(C)C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 2 reports by companies from 1 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers23 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
广州凯途化学有限公司18933936954 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
Related reactions
5 records
Compound notes
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