Cas no 3981-36-0 (3-chloroalanine)

3-Chloroalanine is a halogenated amino acid derivative characterized by the presence of a chloro substituent at the 3-position of the alanine backbone. This compound serves as a versatile intermediate in organic synthesis and pharmaceutical research, particularly in the development of modified peptides and enzyme inhibitors. Its reactive chloro group enables selective functionalization, making it valuable for cross-coupling reactions and the introduction of additional chiral centers. 3-Chloroalanine is also employed in biochemical studies to investigate enzyme mechanisms and metabolic pathways involving alanine derivatives. The compound's stability and synthetic utility underscore its importance in medicinal chemistry and bioconjugation applications.

3-chloroalanine structure

Product Name:3-chloroalanine

CAS No:3981-36-0

MF:C₃H₆ClNO₂

MW:123.538239955902

MDL:MFCD00069581

CID:924944

PubChem ID:78

Update Time:2025-06-09

3-chloroalanine Chemical and Physical Properties

Names and Identifiers

- 3-chloroalanine
- 2-amino-3-chloropropanoic acid
- BETA-CHLOROGENIN, USP STANDARD
- NSC337715
- MFCD00046536
- 3981-36-0
- 13215-35-5
- beta-chloro-DL-alanine
- SY034148
- G50301
- SCHEMBL890419
- 3-CHLORO-DL-ALANINE
- N-Chloroalanine
- DTXSID70927558
- ASBJGPTTYPEMLP-UHFFFAOYSA-N
- DL-3-Chloroalanine
- EN300-195277
- Q27160094
- alpha-Amino-beta-chlor-propionsaure
- (2S)-2-amino-3-chloropropanoicacid
- .beta.-Chloro-D-alanine
- MFCD01632068
- 2-amino-3-chloropropanoicacid
- HMS3749A15
- CHEBI:88164
- SY034145
- L-??Chloroalanine
- beta-Chloroalanine
- Alanine, 3-chloro-
- AKOS006228265
- H-beta-Chloro-Ala-OH
- ALBB-018637
- alanine, 3-chloro-, hydrochloride
- (S)-2-Amino-3-chloropropionic Acid
- MDL： MFCD00069581
- Inchi： 1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)
- InChI Key： ASBJGPTTYPEMLP-UHFFFAOYSA-N
- SMILES： ClCC(C(=O)O)N

Computed Properties

Exact Mass: 123.008706
Monoisotopic Mass: 123.008706
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 7
Rotatable Bond Count: 2
Complexity: 75.3
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 63.3
XLogP3: -2.1

Experimental Properties

Density: 1.401
Boiling Point: 243.6°Cat760mmHg
Flash Point: 101.1°C

3-chloroalanine Pricemore >>

Related Categories	No.	Product Name	Cas No.	Specification	Price	update time
TRC	C364198-250mg	3-Chloroalanine	3981-36-0	250mg	$ 104.00	2023-04-18
TRC	C364198-500mg	3-Chloroalanine	3981-36-0	500mg	$ 178.00	2023-04-18
TRC	C364198-1g	3-Chloroalanine	3981-36-0	1g	$ 265.00	2022-04-28
Enamine	EN300-195277-0.05g	2-amino-3-chloropropanoic acid	3981-36-0	0.05g	$202.0	2023-09-17
Enamine	EN300-195277-1g	2-amino-3-chloropropanoic acid	3981-36-0	1g	$241.0	2023-09-17
Enamine	EN300-195277-5g	2-amino-3-chloropropanoic acid	3981-36-0	5g	$701.0	2023-09-17
Enamine	EN300-195277-10g	2-amino-3-chloropropanoic acid	3981-36-0	10g	$1040.0	2023-09-17
TRC	C364198-1000mg	3-Chloroalanine	3981-36-0	1g	$ 322.00	2023-04-18
Enamine	EN300-195277-0.1g	2-amino-3-chloropropanoic acid	3981-36-0	0.1g	$212.0	2023-09-17
Enamine	EN300-195277-0.25g	2-amino-3-chloropropanoic acid	3981-36-0	0.25g	$222.0	2023-09-17