Basic information
- CAS
79944-37-9- Standard SMILES
CC1(C)OC[C@H](N)[C@@H](O)CO1.Cl- InChIKey
ARCWLJAQCDTUIG-GEMLJDPKSA-N- Molecular formula
- C7H16ClNO3
- Average molar mass
- 197.66 g/mol
- Monoisotopic mass
- 197.0818711
Overview
See other relationships...
Names & identifiers
- Preferred name
- 6-Amino-2,2-dimethyl-1,3-dioxepan-5-ol--hydrogen chloride (1/1)
- IUPAC
- (5R,6S)-6-amino-2,2-dimethyl-1,3-dioxepan-5-ol;hydrochloride
- English name
- trans-5-Amino-6-hydroxy-2,2-dimethyl-1,3-dioxacyloheptane
- Molecular formula
- C7H15NO3
- Molecular weight
- 161.2
Names & synonyms
DTXSID4010008476-Amino-2,2-dimethyl-1,3-dioxepan-5-ol--hydrogen chloride (1/1)(5R,6S)-6-Amino-2,2-dimethyl-1,3-dioxepan-5-ol--hydrogen chloride (1/1)trans-5-Amino-6-hydrL(+)-AMINODIOXEPANE ACETATE(5R, 6S)-6-Amino-2,2-dimethyl-1,3-dioxepan-5-oltrans-6-Amino-5-hydroxy-2,2-dimethyl-1,3-dioxepane(5R,6S)-rel-6-Amino-2,2-dimethyl-1,3-dioxepan-5-olrac-(5R,6S)-6-amino-2,2-dimethyl-1,3-dioxepan-5- ol1,3-Dioxepan-5-ol, 6-amino-2,2-dimethyl-, (5R,6S)-rel-trans-(5RS,6SR)-6-amino-2,2-dimethyl-1,3-dioxepan-5-oltrans-5-Amino-6-hydroxy-2,2-dimethyl-1,3-dioxacyloheptane
Show more names
Rac-(5r,6s)-6-amino-2,2-dimethyl-1,3-dioxepan-5-ol, trans
Database identifiers
- CAS
79944-37-9- PubChem CID
- 53472017
- DTXSID
DTXSID401000847
Properties
Computed structural properties
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 266.3 · 266.3±40.0 °C(Predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- pka
- 13.81 · 13.81±0.60(Predicted)
- CAS DataBase Reference
- 79944 · 79944-37-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 22 · 22-24/25-26-37
- REACH Registrations
- Active
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
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-26-37
- Hazard statements
- H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海皓骏医药科技有限公司021-34621078 13120882795 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
广东翁江化学试剂有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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