CS-0649939
1-(2-Propyn-1-yl)-1H-pyrrole-3-carboxaldehyde
Manufacturer: ChemScene
CAS Number: 104500-98-3
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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
C₈H₇NO
Molecular Weight
133.15
Synonyms
None
SMILES
O=CC1=CN(CC#C)C=C1
Tpsa
22
Logp
0.9338
H Acceptors
2
H Donors
0
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1H-Pyrrole-3-carboxaldehyde,1-(2-propynyl)-(9CI) | Aaron Chemicals LLC | ₹ 21,218.88 - ₹ 84,447.72 | |
 | 104500-98-3 | 1H-Pyrrole-3-carboxaldehyde,1-(2-propynyl)-(9CI) | A2B Chem | ₹ 28,320.36 - ₹ 1,06,008.84 |
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
1759
Class
8
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-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: C₈H₇NO
Molecular Weight: 133.15
Synonyms: None
SMILES: O=CC1=CN(CC#C)C=C1
Tpsa: 22
Logp: 0.9338
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇NO
Molecular Weight:
133.15
Synonyms:
None
SMILES:
O=CC1=CN(CC#C)C=C1
Tpsa:
22
Logp:
0.9338
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₄N₄O₃
Molecular Weight: 274.28
Synonyms: None
SMILES: CN1C(CCNC2=C3C=C([N+]([O-])=O)C(OC)=C2)=C3C=N1
Tpsa: 82.22
Logp: 1.9719
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₄N₄O₃
Molecular Weight:
274.28
Synonyms:
None
SMILES:
CN1C(CCNC2=C3C=C([N+]([O-])=O)C(OC)=C2)=C3C=N1
Tpsa:
82.22
Logp:
1.9719
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₆N₄O
Molecular Weight: 244.29
Synonyms: None
SMILES: CN1C(CCNC2=C3C=C(N)C(OC)=C2)=C3C=N1
Tpsa: 65.1
Logp: 1.6459
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₆N₄O
Molecular Weight:
244.29
Synonyms:
None
SMILES:
CN1C(CCNC2=C3C=C(N)C(OC)=C2)=C3C=N1
Tpsa:
65.1
Logp:
1.6459
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₄₆O₆
Molecular Weight: 478.66
Synonyms: None
SMILES: C[C@@]12[C@]3([H])[C@]([C@H](O)C[C@]1([H])C[C@@H](CC2)OC(OCC)=O)([H])[C@@]4([H])[C@](CC3)([C@@](CC4)([H])[C@H](C)CCC(OC)=O)C
Tpsa: 82.06
Logp: 5.7471
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₄₆O₆
Molecular Weight:
478.66
Synonyms:
None
SMILES:
C[C@@]12[C@]3([H])[C@]([C@H](O)C[C@]1([H])C[C@@H](CC2)OC(OCC)=O)([H])[C@@]4([H])[C@](CC3)([C@@](CC4)([H])[C@H](C)CCC(OC)=O)C
Tpsa:
82.06
Logp:
5.7471
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
6