tert-Butyl 3-aminopropanoate

• CAS: 15231-41-1
• Catalog Number: ACM15231411
• Category: Other Products
• Molecular Weight: 145.2
• Molecular Formula: C₇H₁₅NO₂
• Synonyms: tert-butyl 3-aminopropanoate;3-Aminopropionic acid tert-butyl ester;b-Alanine, 1,1-diMethylethyl ester;tert-Butyl b-alaninate;b-Alanine tert-butyl ester
• Boiling Point: 192 ºC
• Flash Point: 64 ºC
• Density: 0.959

Custom Q&A

What is the molecular formula of tert-Butyl 3-aminopropanoate?

The molecular formula of tert-Butyl 3-aminopropanoate is C7H15NO2.

When was tert-Butyl 3-aminopropanoate created and modified?

tert-Butyl 3-aminopropanoate was created on 2005-09-13 and modified on 2023-12-30.

What is the IUPAC name of tert-Butyl 3-aminopropanoate?

The IUPAC name of tert-Butyl 3-aminopropanoate is tert-butyl 3-aminopropanoate.

What is the InChI of tert-Butyl 3-aminopropanoate?

The InChI of tert-Butyl 3-aminopropanoate is InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3.

What is the molecular weight of tert-Butyl 3-aminopropanoate?

The molecular weight of tert-Butyl 3-aminopropanoate is 145.20 g/mol.

How many hydrogen bond donor counts does tert-Butyl 3-aminopropanoate have?

tert-Butyl 3-aminopropanoate has 1 hydrogen bond donor count.

What is the topological polar surface area of tert-Butyl 3-aminopropanoate?

The topological polar surface area of tert-Butyl 3-aminopropanoate is 52.3 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the XLogP3-AA value of tert-Butyl 3-aminopropanoate?

The XLogP3-AA value of tert-Butyl 3-aminopropanoate is 0.1.

How many rotatable bond counts does tert-Butyl 3-aminopropanoate have?

tert-Butyl 3-aminopropanoate has 4 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 1116-98-9

• 15231-41-1

Reference: [1] Patent: CN105367435, 2016, A, . Location in patent: Paragraph 0022; 0023

Upstream Synthesis Route 2

• 18605-26-0

• 15231-41-1

Reference: [1] Journal of the Chemical Society. Perkin transactions 1, 1968, vol. 10, p. 1219 - 1224

Upstream Synthesis Route 3

• 18605-26-0

• 15231-41-1

Reference: [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 767 - 772

Downstream Synthesis Route 1

• 15231-41-1
• 501-53-1

• 18605-26-0

Reference: [1] Chemical Communications, 2002, # 21, p. 2554 - 2555

Downstream Synthesis Route 2

• 5891-45-2
• 15231-41-1

• 161878-69-9

Reference: [1]Journal of Medicinal Chemistry,1994,vol. 37,p. 3294 - 3302

Downstream Synthesis Route 3

• 15231-41-1
• 501-53-1

• 18605-26-0

Reference: [1]Chemical Communications,2002,p. 2554 - 2555

* For details of the synthesis route, please refer to the original source to ensure accuracy.