Basic information
- CAS
15674-67-6- Standard SMILES
CCN(CC)CCC(=O)O.Cl- InChIKey
QQVHFNAGPZTCBE-UHFFFAOYSA-N- Molecular formula
- C7H16ClNO2
- Average molar mass
- 181.66 g/mol
- Monoisotopic mass
- 181.08695643
Names & identifiers
- Preferred name
- N,N-diethyl-beta-alanine hydrochloride
- IUPAC
- 3-(diethylamino)propanoic acid;hydrochloride
- English name
- 3-(Diethylamino)propionic acid hydrochloride
- Molecular formula
- C7H16ClNO2
- Molecular weight
- 181.66
Names & synonyms
15674-67-6N,N-Diethyl-beta-alanine hydrochlorideEINECS 239-751-6beta-Alanine, N,N-diethyl-, hydrochloride (1:1)DTXSID70166122RefChem:822304DTXCID1088613239-751-63-(diethylamino)propanoic acid hydrochloride3-(Diethylamino)propionic acid hydrochlorideMFCD000126113-(diethylamino)propanoic acid;hydrochloride
Show more names
N,N-diethyl-beta-alanine3-(Diethylamino)propionicacidHClN,N-diethyl-b-Alanine, hydrochloride (1:1)β-Alanine, N,N-diethyl-, hydrochloride (1:1)3-(Diethylamino)propionicAcidHydrochloride>3-(N,N-diethylamino)propionic acid hydrochloride3-(DIETHYLAMINO)PROPIONIC ACID HYDROCHLORIDE 99%
3-Diethylaminopropionic acid hydrochlorideAS-10553D17133-(Diethylamino)propanoicacidhydrochloride3-(DIETHYLAMINO)PROPIONIC ACID HCL3-diethylamino-propionic acid hydrochloride3-(Diethylamino)propanoiSCHEMBL866233
Database identifiers
- CAS
15674-67-6- PubChem CID
- 3084241
- DTXSID
DTXSID70166122- UNII
- 9N72U8GWK3
- EC Number
- 239-751-6
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.8
Physicochemical properties
- Melting point
- 146 · 146-148 °C(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- almost transparency
- Major Application
- peptide synthesis
- InChI
- 1S/C7H15NO2.ClH/c1-3-8(4-2)6-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
- InChIKey
- QQVHFNAGPZTCBE-UHFFFAOYSA-N
- SMILES
- Cl.CCN(CC)CCC(O)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- target organs
- Respiratory system
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 70 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2922498590
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Usespeptide synthesis
Suppliers44 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
武汉杂环科技有限公司027-88041443 13072715837 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.
Related reactions
13 records
Compound notes
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