Basic information
- CAS
417726-36-4- Standard SMILES
CC(C)(C)OC(=O)N1CC=CC[C@H]1C(=O)O- InChIKey
SSYLTDCVONDKNS-QMMMGPOBSA-N- Molecular formula
- C11H17NO4
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.11575802
Names & identifiers
- Preferred name
- (S)-N-Boc-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid
- IUPAC
- (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-2-carboxylic acid
- English name
- (S)-N-Boc-1,2,3,6-Tetrahydro-2-picolinic acid
- Molecular formula
- C11H17NO4
- Molecular weight
- 227.26
Names & synonyms
(S)-N-Boc-1,2,3,6-tetrahydro-2-pyridinecarboxylic acidRefChem:408193625-858-9417726-36-4(S)-1-(tert-butoxycarbonyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-2-carboxylic Acid(2S)-1-(tert-butoxycarbonyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid(S)-N-Boc-1,2,3,6-Tetrahydro-2-picolinic acidstarbld0019051(2S)-1-[(tert-butoxy)carbonyl]-1,2,3,6-tetrahydropyridine-2-carboxylic acidSCHEMBL610128DTXSID00463752
Show more names
TB-1764(S)-1-Boc-3,6-dihydro-2H-pyridine-2-carboxylic acid1,2(2H)-Pyridinedicarboxylic acid, 3,6-dihydro-, 1-(1,1-dimethylethyl) ester, (2S)-
SSYLTDCVONDKNS-QMMMGPOBSA-NAT52341(S)-N-Boc-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid, >=98.0% (HPLC)(2S)-1-{[(1,1-dimethylethyl)oxy]carbonyl}-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- form
- solid
- optical activity
- -4 · [α]/D -4.0±2.0°, c = 1 in methylene chloride
- BRN
- 9049382 · 9049382
- InChI
- 1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h4-5,8H,6-7H2,1-3H3,(H,13,14)/t8-/m0/s1
- InChIKey
- SSYLTDCVONDKNS-QMMMGPOBSA-N
- SMILES
- CC(C)(C)OC(=O)N1CC=CC[C@H]1C(O)=O
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers5 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
Related reactions
4 records
Compound notes
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