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| CAS Number | 496-67-3 |
| Catalog Number | AG003OJZ(AGN-PC-0JK68Z) |
| Chemical Name | BROMISOVAL |
| EC Number | 207-825-7 |
| IUPAC Name | 2-bromo-N-carbamoyl-3-methylbutanamide |
| InChI | InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11) |
| InChI Key | CMCCHHWTTBEZNM-UHFFFAOYSA-N |
| MDL Number | MFCD00047873 |
| Molecular Formula | C6H11BrN2O2 |
| Molecular Weight | 223.0677 |
| SMILES | CC(C(C(NC(N)=O)=O)Br)C |
| Synonyms | (alpha-Bromoisovaleryl)urea,
Bromisoval,
Bromisovalum,
Bromoisovalerylurea,
Bromovalcarbamide,
Bromovalerylurea,
Bromvaleton,
Bromyl,
Sedes A,
Bromisoval,
496-67-3,
bromisovalum,
bromovalerylurea,
Bromvalerylurea,
Bromaral,
Bromural,
Bromcarbamide,
Bromizoval,
Bromocarbamide,
Bromisovalerylurea,
2-bromo-N-carbamoyl-3-methylbutanamide,
1-(2-Bromoisovaleryl)urea,
Bromovalerocarbamide,
Bromvaletone,
Bromvaletonum,
Bromoval,
Bromoxil,
Bromuvan,
Bromvalurea,
Brovalin,
Brovalurea,
Brovarin,
Calmotin,
Dagrabromyl,
Dibroluur,
Dormigene,
Isobromyl,
Pivadorm,
Pivadorn,
Somnurol,
Uvaleral,
Abroval,
Alluval,
Alural,
Upiol,
Butanamide, N-(aminocarbonyl)-2-bromo-3-methyl-,
2-Monobromoisovalerylurea,
Bromvalerocarbamidum,
Bromisoval [INN],
2-Bromo-3-methylbutyrylurea,
Monobromoisolvalerylurea,
2-Bromisovalerylmocovina,
Bromyl,
alpha-Bromoisovaleroylurea,
Bromisovalum [INN-Latin],
(alpha-Bromoisovaleryl)urea,
C6H11BrN2O2,
BRN 1773255,
alpha-Bromoisovaleric acid ureide,
2-Bromisovalerylmocovina [Czech],
Bromvalerylurea [JAN],
UREA, (2-BROMO-3-METHYLBUTYRYL)-,
N-(Aminocarbonyl)-2-bromo-3-methylbutanamide,
EINECS 207-825-7,
alpha-Bromo-beta-dimethylpropanoylurea,
(2-bromo-3-methylbutanoyl)urea,
CHEBI:77043,
Bromisoval (INN),
2-bromo-N-carbamoyl-3-methyl-butanamide,
NCGC00160445-01,
NCGC00160445-02,
Bromoisovalum,
EC-000.1515,
DSSTox_CID_20656,
DSSTox_RID_79524,
DSSTox_GSID_40656,
Q-200755,
Bromovaleroylurea,
CAS-496-67-3,
2-bromo-3-methyl-N-(???methyl)butanamide,
Bromovaluree,
Bromvaleton,
B.V.U.,
Bromovalcarbamide,
Bromoisovalerylurea,
Sedes A,
Bromural (TN),
Brovarin (TN),
Bromisovalum [NF],
Monobromoisovalerylurea,
Bromovalerylurea (TN),
2-Bromo-isovaleryl urea,
(.+/-.)-Bromisoval,
Bromovalerylurea (JP17),
.alpha.-Bromisovalerylurea,
ACMC-1CKY4,
AC1L1DP5,
(RS)-2-Bromoisovalerylurea,
3-03-00-00123 (Beilstein Handbook Reference),
(.alpha.-Bromoisovaleryl)urea,
SCHEMBL262870,
(.alpha.-Bromoisovaleroyl)urea,
alpha(BROMOISOVALERYL)UREA,
CHEMBL1515611,
DTXSID2040656,
CTK8B1749,
KS-00000FTV,
CMCCHHWTTBEZNM-UHFFFAOYSA-N,
.alpha.-Bromoisovaleric acid ureide,
HY-B2113,
Tox21_111815,
ANW-30815,
MFCD00047873,
SBB056983,
N-(2-Bromo-3-methylbutanoyl)urea #,
AKOS001042611,
Tox21_111815_1,
API0001765,
BBV-184370,
CS-7762,
FCH2254270,
GS-3579,
MCULE-4773250122,
NE11031,
NCGC00160445-04,
AN-45315,
BC203967,
LS-159194,
TC-119560,
B2842,
FT-0623210,
ST50993882,
EN300-06511,
C12829,
D01391,
N-(2-Bromo-3-methylbutanoyl)urea, AldrichCPR,
AB01316119-02,
Butanamide,N-(aminocarbonyl)-2-bromo-3-methyl-,
SR-01000040621,
I05-0393,
SR-01000040621-1,
(.alpha.-Bromo-.beta.,.beta.-dimethylpropanoyl)urea,
66101-52-8,
BVU,
Bromhexine hydrochloride,
|A-bromo-I-valerylurea,
UNII-469GW8R486,
C6-H11-Br-N2-O2,
CID2447,
469GW8R486,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.07g/mol |
| Monoisotopic Mass | 222g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302 |
| Packing Group | |
| Precautionary statements | P280-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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| Test: | Result: |

