Basic information
- CAS
927-89-9- Standard SMILES
C[N+](C)(C)CC=CC(=O)[O-]- InChIKey
GUYHPGUANSLONG-UHFFFAOYSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Names & identifiers
- Preferred name
- 2-propen-1-aminium, 3-carboxy-n,n,n-trimethyl-, inner salt
- IUPAC
- 4-(trimethylazaniumyl)but-2-enoate
- English name
- CROTONYLBETAINE(CARNITINE IMPURITY)(RG)
- Molecular formula
- C16H30N2O6
- Molecular weight
- 143.18
Names & synonyms
DTXSID4011927412-Propen-1-aminium, 3-carboxy-N,N,N-trimethyl-, inner saltRefChem:478601DTXCID1016239934-(trimethylammonio)but-2-enoateLevocarnitine EP Impurity ASCHEMBL28076571Q24644558CrotonobetaineCroton Betainecrotonic acid betaineL-carnitine impurity A
Show more names
Levocarnitine Impurity ⅠLevocarnitine Impurity ILevocarnitine Impurity ⅠLevocarnitine Impurity 73Linagliptin Impurity CD10137
Database identifiers
- CAS
927-89-9- PubChem CID
- 589
- DTXSID
DTXSID401192741
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- pka
- 3.367 · 3.367±0.10(predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+
- InChIKey
- GUYHPGUANSLONG-SNAWJCMRSA-N
- SMILES
- [N+](C\C=C\C(=O)[O-])(C)(C)C
- FDA UNII
- 9 SA2P3K7 · ZJ9SA2P3K7
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Eye Irrit. 2
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
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Chemistry & industry
Applications
UsesCrotonobetaine is a trimethylammonium compound that can be converted into L-Carnitine by Escherichia coli via stereoselective hydration.
Suppliers36 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
武汉问津化学科技有限公司13517196568 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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