Basic information
- CAS
2003-76-1- Standard SMILES
CCOC(=O)CCN(C)c1ccccc1- InChIKey
KIGKCEWLNGHFCS-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Ethyl 3-(methyl(phenyl)amino)propanoate
- IUPAC
- ethyl 3-(N-methylanilino)propanoate
- English name
- N-Methyl-N-phenyl-beta-alanine ethyl ester
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
2003-76-1ethyl 3-(methyl(phenyl)amino)propanoateN-Methyl-N-[2-(Ethoxycarbonyl)Ethyl]AnilineN-Methyl-N-phenyl-beta-alanine ethyl esterETHYL 3-[METHYL(PHENYL)AMINO]PROPANOATEethyl 3-(N-methylanilino)propanoateEthyl N-methyl-N-phenyl-beta-alaninateMFCD01249502SCHEMBL2405898SCHEMBL6555905WLZ4038KIGKCEWLNGHFCS-UHFFFAOYSA-N
Show more names
β-Alanine, N-methyl-N-phenyl-, ethyl esterN-Methyl-N-phenyl-^b-alanine ethyl ester, 99%3-(Methyl(phenyl)amino)propanoic acid ethyl esterN-Methyl-N-phenyl-beta-alanine ethyl ester ISO 9001：2015 REACH
ALBB-033211AKOS009086615LS-12541DB-221682H46819
Database identifiers
- CAS
2003-76-1- PubChem CID
- 3803593
- Nikkaji
- J978.138B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 105 · 105-109℃ (0.2 Torr)
- Density
- 1.052 · 1.052±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 112.7 · 112.7±14.0℃
- form
- Liquid
- pka
- 5.22 · 5.22±0.50(Predicted)
- color
- Orange
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers27 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
南京诺利斯医药科技有限公司13901585132 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
石家庄建鑫生物科技有限公司0311-1906231-3169 19062313169 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
越林试剂021-62960152 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
南京毕科生物科技有限公司025-58906079 15151970915 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
众鑫辰实（武汉）科技有限公司18942922096 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
河南卓凡化工有限公司15638881523 · [email protected]
深圳利斯康医药科技有限公司+86-0755-89396905 +86-18025329037 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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