Basic information
- CAS
34450-16-3- Standard SMILES
CC(=O)NCCCNCCCCN.Cl.Cl- InChIKey
IVLOLMVLUOGVCZ-UHFFFAOYSA-N- Molecular formula
- C9H23Cl2N3O
- Average molar mass
- 260.2 g/mol
- Monoisotopic mass
- 259.1218178
Names & identifiers
- Preferred name
- Acetamide, N-(3-((4-aminobutyl)amino)propyl)-, dihydrochloride
- IUPAC
- N-[3-(4-aminobutylamino)propyl]acetamide;dihydrochloride
- English name
- N(sup 1)-acetylspermidine dihydrochloride
- Molecular formula
- C8H19N3O
- Molecular weight
- 173.25596
Names & synonyms
34450-16-3N-(3-((4-Aminobutyl)amino)propyl)acetamide dihydrochlorideN(sup 1)-Monoacetylspermidine dihydrochlorideN(sup 1)-Acetylspermidine hydrochlorideAcetamide, N-(3-((4-aminobutyl)amino)propyl)-, dihydrochlorideAcetamide, N-[3-[(4-aminobutyl)amino]propyl]-, dihydrochloriden-{3-[(4-aminobutyl)amino]propyl}acetamide dihydrochlorideRefChem:315142N1-Acetylspermidine DihydrochlorideN(sup 1)-acetylspermidine dihydrochlorideN-[3-(4-aminobutylamino)propyl]acetamide;dihydrochlorideN1-Acetylspermidine (hydrochloride)
Show more names
N-1-Acetylspermidine hydrochloride,N1 Acetylspermidine hydrochloride,N1Acetylspermidine hydrochloride
MFCD00058261N1-Acetylspermidine HClN-(3-((4-Aminobutyl)amino)propyl)acetamide 2HClN-[3-(4-aminobutylamino)propyl]acetamide dihydrochlorideN1-AcSPD; N-?[3-?[(4-?aminobutyl)amino]propyl]-?acetamide? dihydrochlorideN8-ACETYLSPERMIDINEDIHYDROCHLORIDEN1-AcSPDorb1693101
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 184 · 184-188°C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Methanol (Slightly, Heated), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Toxicity
- 50 · mouse,LD50,intraperitoneal,1150mg/kg (1150mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: OTHER CHANGESBEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY),Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 41, Pg. 1575, 1982.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mouse,LD50,intraperitoneal,1150mg/kg (1150mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: OTHER CHANGESBEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY),Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 41, Pg. 1575, 1982.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesDihydrochloride salt of N1-Acetylspermidine which is an analog of Spermidine (S680400), an antineoplastic.
Suppliers33 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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