Basic information
- CAS
139243-54-2- Standard SMILES
COC(=O)C[C@@H](C)N.Cl- InChIKey
YNRQJTGGWNTZLJ-PGMHMLKASA-N- Molecular formula
- C5H12ClNO2
- Average molar mass
- 153.61 g/mol
- Monoisotopic mass
- 153.0556563
Names & identifiers
- Preferred name
- methyl (3R)-3-aminobutanoate hydrochloride
- IUPAC
- methyl (3R)-3-aminobutanoate;hydrochloride
- English name
- Butanoic acid, 3-aMino-, Methyl ester, hydrochloride, (R)-
- Molecular formula
- C5H12ClNO2
- Molecular weight
- 153.61
Names & synonyms
139243-54-2methyl (3R)-3-aminobutanoate hydrochlorideRefChem:812291816-356-2(R)-Methyl 3-aminobutanoate hydrochlorideMFCD12068616Methyl (R)-homo-beta-alaninate HClmethyl (3R)-3-aminobutanoate;hydrochlorideButanoic acid, 3-amino-, methyl ester, hydrochloride (1:1), (3R)-Methyl (R)-3-Aminobutanoate HydrochlorideButanoic acid, 3-amino-, methyl ester, hydrochloride, (R)-R-3-amino-Butanoic acid methyl ester hydrochloride
Show more names
R-3-ABU-OME HCl(R)-β-HomoAla-OMe.HCl(3R)-Methyl 3-aminobutanoate HCl(R)-3-AMINO-BUTYRIC ACID METHYL ESTER HClMethyl (R)-Homo-Beta-Alaninate Hydrochloride
(R)-3-aminobutanoic acid methyl ester hydrochlorideSCHEMBL7327737YNRQJTGGWNTZLJ-PGMHMLKASA-NMethyl (3R)-3-aminobutanoate HClPFA24354AKOS025405204(R)-Methyl3-aminobutanoatehydrochlorideDS-9006
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 82
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- InChI
- InChI=1/C5H11NO2.ClH/c1-4(6)3-5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/s3
- InChIKey
- YNRQJTGGWNTZLJ-NDILARRWNA-N
- SMILES
- C(=O)(OC)C[C@H](N)C.Cl |&1:5,r|
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2922498590 · 2922498590
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers75 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
1 records
Compound notes
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