CAS 693-57-2 12-Aminododecanoic Acid (HCID 69661)

Names & identifiers

Preferred name: 12-Aminododecanoic Acid
IUPAC: 12-aminododecanoic acid
English name: 12-Aminododecanoic acid
Molecular formula: C12H25NO2
Molecular weight: 215.33

Names & synonyms

12-Aminododecanoic acid693-57-212-Aminolauric acid12-AMINO-DODECANOIC ACIDDodecanoic acid, 12-amino-Omega-Aminododecanoic acidomega-Aminolauric acid9042RP777GCHEBI:42025DTXSID90883480RefChem:43732212-amino-n-dodecanoic acid

Show more names

H-12-ADO-OHNH2-(CH2)11-COOH12-AminolauricAci12-AminolauricAcid,98%12-Aminolauric Acid >12-Aminododecanic AcidDODECANOICACID,12-AMINO-

DTXCID1020803211-754-7MFCD0000815312-aminododecanic acid.omega.-Aminolauric acid12-Ado-OH25768-33-6CCRIS 6171

Database identifiers

CAS: 693-57-2
PubChem CID: 69661
DTXSID: DTXSID90883480
ChEMBL: CHEMBL371701
ChEBI: CHEBI:42025
UNII: 9042RP777G
EC Number: 211-754-7
Nikkaji: J23.186J

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 11
Heavy atoms: 15
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 185 · 185-187 °C (lit.)
Boiling point: 349.7 · 349.7±15.0 °C(Predicted)
Density: 0.957 · 0.957±0.06 g/cm3(Predicted)
vapor pressure: 0 Pa · 0Pa at 25℃
Flash point: 280 °C · 280 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Aqueous Acid (Slightly), Aqueous Base (Slightly)
form: Solid
pka: 1 · pK1: 4.648(+1) (25°C)
color: White to Off-White
Water Solubility: 137 mg/L · 137mg/L at 20℃
BRN: 907502 · 907502
Major Application: peptide synthesis
InChI: 1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)
InChIKey: PBLZLIFKVPJDCO-UHFFFAOYSA-N
SMILES: NCCCCCCCCCCCC(O)=O
LogP: -0.607 at · -0.607 at 24.6℃
CAS DataBase Reference: 693 · 693-57-2(CAS DataBase Reference)
FDA UNII: 9042 RP777G · 9042RP777G
EPA Substance Registry System: 12 · 12-Aminolauric acid (693-57-2)
UNSPSC Code: 12352209 · 12352209
NACRES: 22 · NA.22
Symbol(GHS): 8 · GHS08
Signal word: Warning
Hazard statements: 373 · H373
Precautionary statements: 260 · P260-P314-P501
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29224999 · 29224999
Storage Class: 11 · 11 - Combustible Solids
REACH Registrations: Active

Safety & regulation

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 29224999
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS08
safety_code: 26-36/37/39-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H373
REACH Registrations: Active
Precautionary statements: P260-P314-P501

Chemistry & industry

Applications · 2 items

Description12-Aminododecanoic acid is an alkane chain with terminal carboxlic acid and amine groups. The compound can be used as a PROTAC linker in the synthesis of PROTACs. The amino group (NH2) is reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc. The terminal carboxylic acid can react with primary amine groups of activated NHS ester to form a stable amide bond.

Uses12-Aminolauric Acid is an amino acid used as a reagent in organic synthesis of several compounds including phenylbutazone which is a new long-acting agent which displays improved pharmacokinectics based on human serum albumin as a drug carrier.

Upstream & downstream products

Upstream raw materials

Downstream products

Dodecanoic acid, 12-amino-, methyl ester Boc-12-ado-OH Fmoc-12-aminododecanoic acid Acetaldehyde

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 12-aminododecanoic acid is an omega-amino fatty acid that is dodecanoic acid in which one of the terminal amino hydrogens has been replaced by an amino group. It has a role as a bacterial metabolite. It is an omega-amino fatty acid and a medium-chain fatty acid.