CS-1004438
5-Isobenzofurancarbonitrile, 1-(4-chlorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, ethanedioate 1:1
Manufacturer: ChemScene
CAS Number: 64372-53-8
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₁H₂₁ClN₂O₅
Molecular Weight
416.85
Synonyms
None
SMILES
N#CC1=CC=C2C(=C1)COC2(C3=CC=C(Cl)C=C3)CCCNC.O=C(O)C(=O)O
Tpsa
119.65
Logp
3.14068
H Acceptors
5
H Donors
3
Rotatable Bonds
5
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₁ClN₂O₅
Molecular Weight: 416.85
Synonyms: None
SMILES: N#CC1=CC=C2C(=C1)COC2(C3=CC=C(Cl)C=C3)CCCNC.O=C(O)C(=O)O
Tpsa: 119.65
Logp: 3.14068
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₁ClN₂O₅
Molecular Weight:
416.85
Synonyms:
None
SMILES:
N#CC1=CC=C2C(=C1)COC2(C3=CC=C(Cl)C=C3)CCCNC.O=C(O)C(=O)O
Tpsa:
119.65
Logp:
3.14068
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁NO₂
Molecular Weight: 189.21
Synonyms: None
SMILES: N#CC(C=1C=CC=C(C1)C(=O)O)CC
Tpsa: 61.09
Logp: 2.40198
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₁NO₂
Molecular Weight:
189.21
Synonyms:
None
SMILES:
N#CC(C=1C=CC=C(C1)C(=O)O)CC
Tpsa:
61.09
Logp:
2.40198
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₀N₂O₇
Molecular Weight: 352.34
Synonyms: None
SMILES: C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C=2C(N=C(C(O)=O)C1=O)=CC(C)=C(C)C2
Tpsa: 153.11
Logp: -1.21346
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₀N₂O₇
Molecular Weight:
352.34
Synonyms:
None
SMILES:
C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C=2C(N=C(C(O)=O)C1=O)=CC(C)=C(C)C2
Tpsa:
153.11
Logp:
-1.21346
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₂₅N₃O₃S
Molecular Weight: 471.57
Synonyms: None
SMILES: C(NC1=NC(\C(\C(OCC)=O)=N\OC)=CS1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Tpsa: 72.81
Logp: 5.4607
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₂₅N₃O₃S
Molecular Weight:
471.57
Synonyms:
None
SMILES:
C(NC1=NC(\C(\C(OCC)=O)=N\OC)=CS1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Tpsa:
72.81
Logp:
5.4607
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
9