CS-0094772
4-Methyl-1,3-dihydroisobenzofuran-5-amine
Manufacturer: ChemScene
CAS Number: 944317-42-4
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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
C₉H₁₁NO
Molecular Weight
149.19
Synonyms
None
SMILES
NC1=C(C)C2=C(COC2)C=C1
Tpsa
35.25
Logp
1.60742
H Acceptors
2
H Donors
1
Rotatable Bonds
0
SAFETY INFORMATION
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: C₉H₁₁NO
Molecular Weight: 149.19
Synonyms: None
SMILES: NC1=C(C)C2=C(COC2)C=C1
Tpsa: 35.25
Logp: 1.60742
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁NO
Molecular Weight:
149.19
Synonyms:
None
SMILES:
NC1=C(C)C2=C(COC2)C=C1
Tpsa:
35.25
Logp:
1.60742
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: polypeptide, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₉F₃N₄O₉
Molecular Weight: 550.48
Synonyms: None
SMILES: CC(C)(C)OC(NCC(NCC(N[C@H](C(NCC(O)=O)=O)CC1=CC=CC=C1)=O)=O)=O.OC(C(F)(F)F)=O
Tpsa: 200.23
Logp: 0.1889
H Acceptors: 7
H Donors: 6
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
polypeptide, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₉F₃N₄O₉
Molecular Weight:
550.48
Synonyms:
None
SMILES:
CC(C)(C)OC(NCC(NCC(N[C@H](C(NCC(O)=O)=O)CC1=CC=CC=C1)=O)=O)=O.OC(C(F)(F)F)=O
Tpsa:
200.23
Logp:
0.1889
H Acceptors:
7
H Donors:
6
Rotatable Bonds:
10
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₄N₂O
Molecular Weight: 166.22
Synonyms: 1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-1-one
SMILES: CC(N1CCN(CC#C)CC1)=O
Tpsa: 23.55
Logp: -0.2163
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₄N₂O
Molecular Weight:
166.22
Synonyms:
1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-1-one
SMILES:
CC(N1CCN(CC#C)CC1)=O
Tpsa:
23.55
Logp:
-0.2163
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₄N₂O₂S
Molecular Weight: 202.27
Synonyms: None
SMILES: C#CCN1CCN(S(=O)(C)=O)CC1
Tpsa: 40.62
Logp: -0.8032
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₄N₂O₂S
Molecular Weight:
202.27
Synonyms:
None
SMILES:
C#CCN1CCN(S(=O)(C)=O)CC1
Tpsa:
40.62
Logp:
-0.8032
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2