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Basic information
- CAS
5446-58-2- Standard SMILES
Cc1ccc(S(=O)(=O)N(CCC(=O)O)CCC(=O)O)cc1- InChIKey
LBANXBGLPMAEBA-UHFFFAOYSA-N- Molecular formula
- C13H17NO6S
- Average molar mass
- 315.34 g/mol
- Monoisotopic mass
- 315.07765844
Names & identifiers
- Preferred name
- 3,3'-(Tosylazanediyl)dipropanoic acid
- IUPAC
- 3-[2-carboxyethyl-(4-methylphenyl)sulfonylamino]propanoic acid
- English name
- N-P-TOLUENESULFONYLIMINO-3,3'-DIPROPIONIC ACID
- Molecular formula
- C13H17NO6S
- Molecular weight
- 315.34
Names & synonyms
5446-58-23,3'-(Tosylazanediyl)dipropanoic acid3-[2-carboxyethyl-(4-methylphenyl)sulfonylamino]propanoic acid3-[N-(2-carboxyethyl)4-methylbenzenesulfonamido]propanoic acid3-{(2-carboxyethyl)[(4-methylphenyl)sulfonyl]amino}propanoic acidNSC17334SCHEMBL13589964DTXSID701198693EINECS 226-660-1MFCD00045941NSC 17334NSC-17334
Show more names
LABOTEST-BB LT004549873,3'-(Tosylazanediyl)dipropionic acidN-p-Toluenesulfonylimino-3,3'-dipropionic acidN-P-TOLUENESULPHONYLIMINO-3,3'-DIPROPIONIC ACIDN-Para-Toluenesulfonylimino-3,3'-Dipropionic Acid3-[N-(2-carboxylatoethyl)-4-methylanilino]propanoateN-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanineb-Alanine,N-(2-carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-Alanine, N-(2-carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-N-(2-carboxyethyl)-N-[(4-methylphenyl)sulphonyl]-beta-alanine
SBB0579553,3'-(Tosylazanediyl)dipropanoicacidAKOS024371056SB83047AS-63452DB-052580NS00043764ST51007278
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Melting point
- 170 · 170-173°C
- BRN
- 2820711 · 2820711
- CAS DataBase Reference
- 5446 · 5446-58-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers9 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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