Basic information
- CAS
794488-74-7- Standard SMILES
CC1CCCC(C)N1CC(=O)O- InChIKey
YLBXXWPPZXGSJT-UHFFFAOYSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.12592879
Names & identifiers
- Preferred name
- (2,6-Dimethyl-piperidin-1-yl)-acetic acid
- IUPAC
- 2-(2,6-dimethylpiperidin-1-yl)acetic acid
- English name
- (2,6-Dimethyl-piperidin-1-yl)-acetic acid
- Molecular formula
- C9H17NO2
- Molecular weight
- 171.24
Names & synonyms
794488-74-72-(2,6-dimethylpiperidin-1-yl)acetic acid(2,6-Dimethyl-piperidin-1-yl)-acetic acid(2,6-Dimethyl-1-piperidyl)acetic Acid(2,6-dimethylpiperidin-1-yl)acetic acidMFCD067534392,6-Dimethyl-1-piperidineacetic acid1-Piperidineacetic acid, 2,6-dimethyl-, hydrochlorideSCHEMBL3113944DTXSID00328690HMS1698M10ALBB-011781
Show more names
OTAVA-BB 7020671376ASINEX-REAG BAS 132593022,6-dimethylpiperidylethanoic acid(2,6-Dimethyl-1-piperidinyl)acetic acid
AC8743STK894383AKOS000676466AKOS016345694SB425661-Piperidineacetic acid, 2,6-dimethyl-AS-94194SY262872
Database identifiers
- CAS
794488-74-7- PubChem CID
- 413180
- DTXSID
DTXSID00328690
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 266.6 · 266.6±23.0 °C(Predicted)
- Density
- 1.009 · 1.009±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 2.47 · 2.47±0.10(Predicted)
- form
- solid
- Appearance
- Off-white to light yellow Solid
- InChI
- 1S/C9H17NO2/c1-7-4-3-5-8(2)10(7)6-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
- InChIKey
- YLBXXWPPZXGSJT-UHFFFAOYSA-N
- SMILES
- CC1CCCC(C)N1CC(O)=O
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers20 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海英奇曼化学科技有限公司18299177127 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
上海吉奉生物科技有限公司021-61263377 15023907684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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