(S)-2-methylpyrrolidine-2-carboxylic acid hydrochloride
Basic information
- CAS
1508261-86-6- Standard SMILES
C[C@@]1(C(=O)O)CCCN1.Cl- InChIKey
YWPABDPNGQMUFH-UZHXKHNSNA-N- Molecular formula
- C6H12ClNO2
- Average molar mass
- 165.62 g/mol
- Monoisotopic mass
- 165.0556563
Names & identifiers
- Preferred name
- (S)-2-methylpyrrolidine-2-carboxylic acid hydrochloride
- IUPAC
- (2S)-2-methylpyrrolidine-2-carboxylic acid;hydrochloride
- English name
- (S)-2-Methylpyrrolidine-2-carboxylic acid hydrochloride
- Molecular formula
- C6H12ClNO2
- Molecular weight
- 165.62
Names & synonyms
1508261-86-6(S)-2-methylpyrrolidine-2-carboxylic acid HydrochlorideRefChem:407949820-170-72-Methyl-L-proline hydrochloride(2S)-2-methylpyrrolidine-2-carboxylic acid hydrochloride2-methyl-L-proline HClMFCD04115802(2S)-2-methylpyrrolidine-2-carboxylic acid;hydrochloride(S)-2-methylproline hydrochloride(S)-2-METHYLPYRROLIDINE-2-CARBOXYLIC ACID (HYDROCHLORIDE)L-Proline, 2-methyl-, hydrochloride (1:1)
Show more names
(2S)-2-methyLS-2-Me-Pro-OH HCl2-Methyl-Proline.HCl(S)-α-Methylproline·HCl(S) 2-Methylproline.HCl(S)?-alpha-?Methylproline·HClα-Methyl-L-proline hydrochloride
(S)-2-METHYLPYRROLIDINE-2-CARBOXYLIC ACID HCL(2S)- 2-Methylpyrrolidine-2-carboxylic Acid Hydrochloride(S)-2-methylproVPF95FR24PSCHEMBL16798066YWPABDPNGQMUFH-RGMNGODLSA-NCS-M1378L-Proline, 2-methyl-, hydrochloride
Database identifiers
- CAS
1508261-86-6- PubChem CID
- 72207643
- UNII
- VPF95FR24P
- EC Number
- 820-170-7
Properties
Computed structural properties
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1/C6H11NO2.ClH/c1-6(5(8)9)3-2-4-7-6;/h7H,2-4H2,1H3,(H,8,9);1H/t6-;/s3
- InChIKey
- YWPABDPNGQMUFH-UZHXKHNSNA-N
- SMILES
- C([C@]1(NCCC1)C)(=O)O.Cl |&1:1,r|
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H332-H302
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 75% (6 of 8) of all reports.
Warning
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: (S)-2-methylpyrrolidine-2-carboxylic acid hydrochloride (EC: 820-170-7)
Hazard Classes and CategoriesAcute Tox. 4 (12.5%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H332-H302
- REACH Registrations
- Active
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Applications
Uses(S)-2-Methylpyrrolidine-2-carboxylic acid (Hydrochloride) could be the starting material to synthesize ACT-541468, ACT-658090, and ACT-605143.
Suppliers
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Related reactions
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Compound notes
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