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Methyl 3-aminocrotonate(CAS No. 14205-39-1)

Methyl 3-aminocrotonate C5H9NO2 (cas 14205-39-1) Molecular Structure

14205-39-1 Structure

Identification and Related Records

【Name】
Methyl 3-aminocrotonate
【Iupac name】
methyl (Z)-3-aminobut-2-enoate
【CAS Registry number】
14205-39-1
【Synonyms】
methyl 3-amino-trans-but-2-enoate
3-Aminocrotonic acid methyl ester
【EINECS(EC#)】
238-056-5
【Molecular Formula】
C5H9NO2 (Products with the same molecular formula)
【Molecular Weight】
115.13
【Inchi】
InChI=1/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3
【Canonical SMILES】
CC(=CC(=O)OC)N
【Isomers smiles】
C/C(=C/C(=O)OC)/N
【MOL File】
14205-39-1.mol

Chemical and Physical Properties

【Appearance】
yellowish semi-solid
【Density】
1.031 g/cm3
【Melting Point】
81-83℃
【Boiling Point】
112°C 42mm,194.1 °C at 760 mmHg
【Flash Point】
91℃
【Water】
insoluble
【Solubilities】
Insoluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29224995
【Storage temp】
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
【Computed Properties】
Molecular Weight:115.13046 [g/mol]
Molecular Formula:C5H9NO2
XLogP3-AA:0.6
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:5
Exact Mass:115.063329
MonoIsotopic Mass:115.063329
Topological Polar Surface Area:52.3
Heavy Atom Count:8
Formal Charge:0
Complexity:118
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:5

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22;R36/37/38
【Safety Statements 】
S26;S37/39
【Sensitive】
Hygroscopic
【Transport】
200kgs

Use and Manufacturing

【Usage】

Methyl 3-aminocrotonate is used as intermediate for the syntheses of pharmaceuticals (e.g. 1,4-dihydropyridine derivatives) as well as for the manufacture of stabilizers and plastics. Product Data Sheet

Supplier Location

Top Suppliers

Diamond member Nanjing Bangnuo Biotechnology Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-1732-7098554
Diamond member FORT ST BIOLOGICAL TECHNOLOGY LIMITED
Country:ChinaChina
Business Type:Trading Company
Telephone:86-311-13263231263
Diamond member Wuhan Fortuna Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-27-59207850
Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-83214668
Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member chengdu yancey import& export trade co.,ltd
Country:ChinaChina
Business Type:Trading Company
Telephone:86-153-73023168
Diamond member Nanjing Chemlin Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-83697070
Diamond member Changzhou Chontech Baocheng Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-519-82698291
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578

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