Basic information
- CAS
1931965-01-3- Standard SMILES
CCC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C- InChIKey
WTYLEXCGLNFFIN-QMMMGPOBSA-N- Molecular formula
- C11H21NO4
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.14705815
Names & identifiers
- Preferred name
- (3S)-3-{[(tert-butoxy)carbonyl]amino}hexanoic acid
- IUPAC
- (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
- English name
- Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)-
- Molecular formula
- C11H21NO4
- Molecular weight
- 231.29
Names & synonyms
1931965-01-3(3S)-3-{[(tert-butoxy)carbonyl]amino}hexanoic acid(3S)-3-(((tert-butoxy)carbonyl)amino)hexanoic acidRefChem:401278888-046-5(S)-3-((TERT-BUTOXYCARBONYL)AMINO)HEXANOIC ACID(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acidN-Boc-(S)-3-aminohexanoic acidMFCD06227925SCHEMBL4936593(S)-3-(Boc-amino)hexanoic AcidAS-88954
Show more names
(S)-3-(N-BOC-Amino)-hexane-carboxylic acid(S)-3-(N-BOC-amino)-hexanoic acid(S)-3-((tert-butyloxycarbonyl)amino-)hexanecarboxylic acid(S)-3-((TERT-BUTOXYCARBONYL)AMINO)HEXANOIC ACID
CS-0262172EN300-816687G63929(S)-3-((tert-butoxycarbonyl)aminio)butanoic acidF673669(S)-3-((TERT-BUTOXYCARBONYL)AMINO)HEXANOICACID(S)-3-((tert-butoxycarbonyl)amino)hexanoic acid - [B91884]Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)-
Database identifiers
- CAS
1931965-01-3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 366.5 · 366.5±25.0 °C(Predicted)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- pka
- 4.45 · 4.45±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
凯瑞斯德生化（苏州）有限公司0512-62956066 18112603058 · [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]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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